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UNIQUE-ID - PANTOTHENATE |
TYPES - Compounds |
COMMON-NAME - (<i>R</i>)-pantothenate |
ATOM-CHARGES - (4 -1) |
CHEMICAL-FORMULA - (H 16) |
CHEMICAL-FORMULA - (N 1) |
CHEMICAL-FORMULA - (C 9) |
CHEMICAL-FORMULA - (O 5) |
DBLINKS - (PUBCHEM "167945" NIL |taltman| 3451921010 NIL NIL) |
DBLINKS - (|Wikipedia| "Vitamin_B5" NIL |caspi| 3496684943 NIL NIL) |
DBLINKS - (PUBCHEM "167945" NIL |taltman| 3466375285 NIL NIL) |
DBLINKS - (CHEBI "29032" NIL |taltman| 3452363569 NIL NIL) |
DBLINKS - (LIGAND-CPD "C00864" NIL |kr| 3346617700 NIL NIL) |
DBLINKS - (CAS "79-83-4") |
IN-MIXTURE - MIX66-4 |
INCHI - InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1/f/h10,12H |
MOLECULAR-WEIGHT - 218.229 |
MONOISOTOPIC-MW - 219.11067266139997 |
SMILES - C(CC(=O)[O-])NC(=O)C(O)C(C)(C)CO |
SYNONYMS - vitamin B<SUB>5</SUB> |
SYNONYMS - (<i>R</i>)-pantothenic acid |
SYNONYMS - D-pantothenic acid |
SYSTEMATIC-NAME - beta-alanine, (R)-N-(2,4-dihydroxy-3,3-dimethyl-oxobutyl)- |
// |
name QC9 QC5 QC4 QC3 QC26 QC25 QC24 QC23 QC22 QC21 QC20 QC2 QC19 QC18 QC17 QC16 QC15 QC14 QC13 QC12 QC11 QC10 QC1 Blank1 BLANK2 X270 X269 X268 X267 X266 X265 X264 X263 X262 X261 X260 X259 X258 X257 X256 X255 X254 X253 X252 X251 X250 X249 X248 X247 X246 X245 X244 X243 X242 X241 X240 X239 X238 X237 X236 X235 X234 X233 X232 X231 X230 X229 X228 X227 X226 X225 X224 X223 X222 X221 X220 X219 X218 X217 X216 X215_2 X215 X214_2 X214 X213_2 X213 X212_2 X212 X211_2 X211 X210 X209 X208 X207 X206 X205 X204 X203 X202 X201 |
M151T34 3664879.406 3735146.658 5190263.212 2742965.626 3824723 3722931.828 3804188.233 3274210.414 3736264.511 4086380.031 3865964.346 2778980.427 4978172.324 4905276.19 3922531.66 3946921.733 3653311.085 3899843.095 3647404.195 4108378.092 3789306.492 3817393.273 11227341.81 NA NA 4239848.625 4353922.877 3185211.109 4274672.371 4202852.223 2712694.453 2478187.909 2917703.669 4101783.444 2791018.675 4036500.202 4081653.7 3863899.354 3596003.474 3903561.131 3845349.178 4033040.044 3910795.154 4209929.634 4091910.682 3650699.742 3816196.612 3765388.896 3914334.691 3568681.226 3584759.547 3415829.669 3553031.948 3488756.994 3564695.969 3607212.465 3830927.612 3902382.68 3575035.786 4013981.816 3905223.548 4035698.764 NA 3704925.3 3625739.974 3829628.763 4251159.919 4061967.797 4213803.511 4389324.138 4776861.237 4402205.539 4805066.626 4710419.68 4965044.005 3847290.96 4095770.266 3651985.547 4022545.23 3524470.662 3994190.035 5268067.076 3980924.23 3925451.818 4703972.325 5924917.059 3618969.443 6883328.141 4014807.84 3931.855673 4224942.098 3946599.381 3668948.415 3754320.919 3853724.35 3787350.413 3584464.169 3499710.973 3623205.47 4145769.937 |
M151T40 740638.0773 752407.4893 NA 642924.5485 1167015.765 1175981.332 1122533.101 652289.1329 1310380.27 1240796.419 1253697.865 642116.4365 1249102.18 1366139.649 1325484.448 1245037.779 1284222.14 1353343.89 1273514.838 1290741.357 781899.4783 676359.4579 NA NA NA 1564497.872 1261143.05 620572.7253 942200.8628 873932.6813 551924.4975 382571.8249 542827.8789 1055625.145 424322.2174 2893851.175 3097188.628 2842055.57 3433767.742 6519110.445 1194701.12 1045483.905 644859.5896 763078.8272 772425.0669 1243910.909 1074328.776 1048337.335 1132177.616 780729.6606 431484.7887 313401.1991 358651.5804 308153.8137 389608.2131 606281.6414 1046897.939 904990.678 618386.2119 702029.3348 1160512.744 1096971.789 796396.1795 732295.7623 468017.1664 1090992.696 1121750.909 1029418.032 716561.0787 815287.7123 975338.8372 1109036.334 1076211.396 739566.1602 383415.1475 1377804.905 1252160.88 1021953.204 911285.8029 672522.7181 1082091.321 1150203.278 1141946.011 1150402.172 1042426.351 1109021.846 913221.6529 726106.2227 1105555.741 NA 1419062.459 1251605.707 1214825.805 814302.8162 533196.3363 1930928.005 1479000.788 1076353.867 929321.7698 529806.2436 |
M152T40 61052.40512 53355.46078 NA NA 68751.57308 78073.98716 89430.67784 37853.80286 87778.85178 106307.2467 112381.3085 43290.46725 103888.7733 96649.83024 98709.43479 95561.22347 99088.39407 118880.0525 107935.6669 42119.53354 53495.15699 45069.5036 NA NA NA 108722.1677 83502.71734 33180.72721 65842.12386 36689.9373 21751.41318 18676.55519 29920.8339 70164.09549 15734.89614 257457.0256 278369.4609 263101.4811 304407.6047 640916.3037 NA NA NA NA 46111.74228 77864.09717 58201.54836 38180.87289 61231.92437 NA 16650.3866 NA NA NA 13572.5995 45598.17253 81933.79118 65390.83744 38326.15705 28490.52782 76276.75011 60945.27936 57184.96763 38084.53058 33642.22972 75917.29755 108570.764 86854.36011 55585.9487 59718.11999 85109.80746 101982.3413 86075.14722 NA NA 125668.3042 119526.2419 65823.60816 66309.37073 NA 86648.67231 80242.37473 93988.90892 91668.25303 38085.73564 64509.66951 69634.8696 28310.74865 NA NA 120391.9459 99704.42398 93840.00343 41863.34735 NA 211544.6946 128571.2802 93893.45639 71636.55471 49164.8271 |
M153T34 5141478.678 5496344.499 8335845.884 3860588.443 5316874.128 5988231.828 5844917.302 4842376.437 6186220.293 5863456.969 6042462.446 3995133.009 6322990.651 7306456.76 5743790.766 5973861.625 5829359.766 5807772.46 6211850.953 6155232.471 5514352.024 5673829.943 15592032.86 NA NA 6066106.091 6202260.683 4732474.644 6221347.339 5976186.465 4221130.348 3863583.173 4417471.528 6482786.626 4021015.422 6312631.386 5705120.067 5662820.87 5331628.573 6292940.851 6657613.014 5885366.76 5808021.005 6330598.28 6757653.812 5721586.252 5534892.952 5625228.739 6031689.417 5146149.555 5694941.565 5615015.368 5362885.978 5006171.682 5296118.441 5533561.255 5853879.769 5779278.377 5481312.391 5494066.189 5786592.012 5766485.824 4827070.756 5289055.816 5446315.498 4949766.741 6135001.197 6093661.726 6667589.397 6257821.87 6667925.064 6754445.832 6433005.031 6771280.623 6982761.361 5730420.27 5692900.94 5417963.217 5952989.095 5181322.713 6167121.502 7376774.709 5835243.024 5578205.33 5793794.416 8727743.626 5923743.881 8842829.404 5614648.08 4403.625656 5592065.209 5761380.336 5845419.195 5576013.305 5552877.855 6132789.132 5891377.566 5418081.578 5036839.629 5733794.128 |
M153T36 5336758.44 5558264.989 11185568.77 6876715.014 9967313.68 9073821.671 9328572.604 5944246.601 10707570.88 10850720.28 10911329 7919349.549 10587636.51 11589570.44 10998319.76 9968168.14 10446376.46 10335883.42 9963899.64 11010653 6446798.317 5587569.278 5776229.976 NA NA 8461558.261 7270924.842 4950582.666 11411061.49 19567860.74 3067297.338 2788985.619 4672257.301 8289837.939 6945837.826 11955792.24 10577204.34 10887732.97 11917429.22 26987650.04 12689650.83 9375933.497 13632189.56 15943742.36 11968825.27 6433167.264 7548967.347 6963806.895 8390617.616 10919100.68 10346285.81 12180169.6 14463898.06 14537395.83 17524737.28 4797726.205 10554644.32 12701810.64 14533619.72 24422073.89 14379973.9 14606921.47 11815482.26 15501806.61 18134685.95 8831015.557 8775686.277 9255109.925 7744715.52 7154815.963 2439290.746 4526054.082 4621701.959 4477729.866 7637371.539 5572261.072 7017476.307 5954562.864 8318135.764 11451579.53 5047313.541 5182824.318 8379523.435 7215213.057 8824138.316 9177573.552 7373572.231 6689183.825 9697493.52 4550.171272 7284937.615 10832885.41 11400723.1 8220552.46 9255153.577 7648210.957 7723813.528 5571162.543 5362559.921 9259675.348 |
M153T40 47420.48069 36831.13911 NA NA 68002.91665 51043.49311 57245.86875 39912.65594 NA 62876.70302 84563.1048 30311.36197 82652.60112 88958.66742 74798.23828 72615.02473 72963.18515 73457.89235 NA 64253.81756 34461.9682 33561.40805 NA NA NA 52419.7937 52797.19882 33340.23529 52022.05115 28507.75904 NA NA 24995.64591 NA NA 69922.3665 72534.97372 NA 50035.39507 42321.56223 86977.9806 72000.15646 72089.82749 85728.03682 62707.76314 31905.00452 62412.62348 58115.25491 52748.79439 53932.92939 120349.6238 103677.2374 92358.41238 88167.73542 82090.99139 37359.45574 55226.81939 70176.38001 58071.5917 NA 19656.5611 NA 19564.64109 NA NA 75731.92592 71641.34099 90807.34767 65326.05413 58225.10625 55423.29593 76089.34424 60647.1859 47545.91365 78322.37651 51570.17235 85559.56133 62377.52642 70747.94472 60240.95195 51912.15902 64068.17916 77572.59968 65872.08887 69390.48465 83127.0955 65125.15065 43645.40291 89255.86425 NA 42806.8461 59404.2612 47843.4883 53781.58908 62262.8188 84578.26704 105856.6287 69885.93448 94360.52678 107830.0623 |
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M155T34 2223078.88 2312123.772 2677193.752 NA 2205963.106 2388111.494 2157729.511 1912756.335 2507770.371 2632254.822 2416073.035 NA 2779426.729 2996510.249 2120791.595 2458142.437 2293027.507 1994868.664 2161660.725 2418188.281 2393816.247 2393804.87 6372158.349 NA NA 2645491.875 2584947.76 1731019.585 2507921.642 2401443.965 1471808.823 1629981.269 1699576.347 2348729.859 1678963.878 2444658.207 2574116.212 2062976.597 1966728.518 2235447.927 2504772.476 2153476.845 2550653.661 2398959.698 2297930.176 2192361.471 2041117.447 1941482.696 2388353.557 2065906.403 2585069.596 2284062.418 2304200.282 2182109.764 2031325.855 2194959.434 2121616.272 2154680.292 2057324.671 2215663.263 2550668.028 2326544.306 2060103.666 2126867.131 2486125.496 2220078.996 2203038.195 2541236.694 2377483.292 2493192.215 2593502.469 2758126.483 2651718.447 2717607.262 2564077.053 2463620.244 2365206.95 1866456.458 2305776.779 2142674.892 2175436.195 3252257.2 2075734.091 2072596.429 2360793.986 3693742.861 2015354.182 3780354.008 2248041.767 NA 2394237.956 2468757.018 2486574.056 2135070.704 2320544.873 2684487.291 2193185.849 2128614.981 1954523.113 2380053.055 |
M155T38 68166.77859 52093.87696 NA NA 280184.0182 NA 233302.2982 NA 229539.7495 NA 203094.5815 NA 231451.128 NA 108933.9169 159448.9477 153173.3655 125248.0877 131428.2722 129327.0833 64177.26068 56219.31751 NA NA NA 390444.6846 271978.8697 129010.4863 368694.1425 225233.7373 NA NA 142176.1455 NA 191185.4325 176726.6582 243756.4055 165928.2003 NA 447746.5893 346839.3786 275068.5134 211218.4275 NA 214655.2731 172609.1816 177306.3357 NA 198581.5313 NA 156735.5565 179458.0409 146656.6078 182282.6147 145332.5566 65899.44033 68720.27716 NA 110643.3452 139902.7925 NA 78768.7099 70807.51306 67611.97821 124106.8921 NA 116308.2579 319932.1712 393597.534 903006.0486 146260.036 159496.818 189119.1188 206183.7872 305754.0273 NA NA 159711.5533 171263.1155 149205.1904 57445.83205 NA 119836.442 NA 252612.2472 NA 333718.1546 NA 298240.4114 NA NA 85751.21174 91256.4248 242681.3879 191617.573 49641.70057 NA 161071.5225 119109.2008 NA |
M156T37 200435.7425 525240.2223 132819.9619 1398408.155 402538.7164 393585.065 375125.0932 383880.5637 244704.875 423565.1129 349670.1752 24617.52088 342744.8454 640591.8151 596569.2005 607314.8039 716000.5337 455198.5944 625342.9628 673291.8581 84735.17901 403973.8094 NA 164074.9037 149355.4813 408140.7386 531872.0045 357262.5167 321177.3757 556284.8415 371435.1749 308973.942 416604.0717 494458.5458 355303.6732 377412.6538 346666.4369 592245.5431 451995.2983 528868.1548 476461.5034 1094744.997 778626.3821 570186.0716 745210.4158 668911.3484 834421.215 617265.7417 584059.3444 773462.9553 1146936.429 722338.2913 822619.1028 854265.0816 760936.7216 731389.3915 461971.4871 832543.6297 1434445.858 1019616.539 463636.2845 492151.0558 581228.301 411203.8102 584596.8581 NA NA 473291.4506 640718.3068 393062.0606 584834.3867 988061.9069 797808.8847 490938.1451 767639.4303 394733.4904 558619.5899 732654.654 776900.1915 1146192.842 NA NA 357697.0784 700529.5655 394230.6527 529374.2038 501513.5311 655984.7456 528536.1654 NA 337226.1531 562485.99 602756.6649 592051.8053 776177.0161 603912.6642 545068.8043 906748.4913 581061.0681 576571.2755 |
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M159T37 396457.9313 400947.27 NA 456446.1896 557821.4764 469455.9717 401103.946 507438.8395 723031.4581 632231.9273 587567.0584 582628.8103 587896.1002 578058.741 593196.96 594986.4729 552703.3569 758175.8497 445230.6881 577947.547 465607.1262 303833.1575 NA NA NA 663939.0755 687935.1432 352160.5131 916892.7636 508830.0141 326028.1391 NA 323053.6879 606336.7164 NA 583312.4985 823803.4446 484517.8871 596499.9776 619244.7834 639148.5592 501314.0148 489070.2447 687632.0473 554291.979 NA 328941.9027 341561.471 534860.3842 354839.7061 409529.6202 362000.1246 433684.8632 352532.3989 444310.3795 255751.9786 586319.4215 648417.7248 510437.6371 1190300.683 356038.3081 409956.6547 337982.1436 460321.7927 487175.8973 342987.5349 360727.4803 395005.6675 734560.8686 774954.8233 474729.9352 462495.788 532495.5363 NA 704939.9241 418727.8677 637397.631 526740.1826 334514.7828 335542.8591 NA NA 478880.0482 NA 455234.3526 431745.9288 542241.8412 NA 815606.6204 NA NA NA NA NA 368984.1166 685785.2892 639664.6128 324289.0884 NA 563605.0932 |
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M161T34 2983177.004 3191056.686 5177153.319 2229858.222 3999510.659 3634481.643 3291030.78 2758447.48 3610154.42 4031948.826 3860277.2 2702655.17 4588718.342 4436378.774 3928802.365 3826724.721 3697026.052 3740695.109 3929248.075 4417960.035 3233382.401 2922542.723 5743215.014 NA NA 3847339.849 3914483.404 2448963.89 4140974.673 3623733.257 2299138.111 2154627.189 2479276.042 3718922.928 2204030.054 3943561.798 4052123.85 3716619.026 3939055.415 3922316.987 4255770.334 3459718.962 3732252.987 3950714.74 4010804.171 3436453.632 3867092.705 3486516.03 3864717.657 3205223.117 3705045.446 3520894.348 3478754.143 3296930.134 3486745.422 2906351.834 3807173.231 4046258.011 3554975.127 3684361.983 3451254.367 3023134.117 2697972.694 3209503.475 2948859.002 3826790.103 4019219.93 3615851.681 4296679.625 4235371.671 4210993.259 4209181.086 4008262.907 4105131.239 4145864.539 3759814.647 3683967.751 3601668.603 3659778.763 3597705.632 3953484.057 5033724.782 3407804.894 3516883.551 3943618.991 6273715.696 3083812.409 9699478.917 3990002.383 26040.91032 3463034.768 3643571.142 3788912.892 3393365.08 3308445.691 3985730.392 3633586.801 3294906.584 3502592.022 4141390.995 |
M161T39 524049.6588 468820.9704 NA 190415.7396 451580.0108 721719.6115 392192.3964 564397.4131 1034572.916 795012.6174 506559.2404 179585.744 1002692.395 1198159.33 500936.7687 797065.7162 846218.7992 774090.901 411656.697 732134.7812 512436.107 235185.9315 NA NA 51520.28589 505494.9346 467132.8517 395914.7188 674262.8606 231031.897 266588.7922 243364.0053 468150.0261 820259.551 92765.70798 350533.8905 411195.2341 443249.1249 630778.1584 245701.7322 1031233.438 518714.4116 620973.2182 1069568.854 231521.0839 651052.595 274126.4853 618862.9716 578326.7491 178137.5477 494003.651 579479.0663 535119.3803 317873.6383 288538.8375 195467.4031 434213.7327 450131.1278 358044.3682 395662.3267 495495.5244 556913.8978 423168.9697 353395.9426 271910.1486 203527.7917 140904.5354 182825.4984 121838.6989 293214.7983 174909.6145 NA 716291.4932 304187.3077 183259.6458 237876.4953 302808.1591 291050.6034 331522.1089 383368.5632 925556.2474 1500879.009 307815.741 213286.8983 276421.161 310097.1093 184448.0675 151207.1058 651047.2853 NA 167723.541 294024.8498 390837.776 245076.8675 396152.617 297318.8226 370704.0427 298640.1176 357472.188 340466.4276 |
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M162T36 907524.2645 856075.3583 958648.6644 115601.3992 896990.6449 689675.1163 773817.47 1480807.928 956204.3933 937663.5221 928905.6204 NA 901738.045 903605.9041 368433.8884 NA NA NA NA 569528.3373 934544.1693 801796.6358 NA NA NA 1057353.489 941781.9082 885407.5487 926311.6843 1163456.969 1578528.905 832021.9284 1187267.832 NA 1180246.234 1233151.169 1111825.841 1003434.856 NA 847105.4687 NA 869092.1337 NA 1315180.781 1171882.347 824864.8218 428228.8781 NA 239832.9203 NA NA NA 539005.3929 523249.8043 661782.03 577594.3974 235863.8171 NA NA 195224.6808 957032.7105 740007.2537 757186.0974 756018.4352 677289.2872 1749796.569 1094874.403 NA 906909.4205 958979.5741 NA 757602.5975 535605.2597 826357.0473 1090545.884 NA 766575.6512 247206.9074 NA NA NA NA NA NA 1269082.457 794749.8059 851970.2506 NA 916512.888 NA 658256.6082 NA 440178.3409 NA NA 442405.3261 NA NA NA 521127.5284 |
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M165T38 2690344.178 2657817.253 865803.5796 2059730.095 3721242.024 3708138.674 3751081.389 3008501.08 4449189.534 4462967.666 4698720.646 2145854.372 4292967.713 4467440.776 4148389.749 4065727.027 3949890.563 4147591.633 3993383.655 3915467.675 3008175.676 2450555.642 649295.8421 NA NA 4274405.812 2895285.259 2049030.399 2884432.395 3069588.163 4275084.438 3293556.152 4858357.141 7616102.517 3092258.378 5886960.769 3465226.889 2791697.578 3820063.701 4334662.475 6706275.452 4211018.213 4009653.908 4605530.579 2196761.85 1756153.926 1987722.123 2097158.27 2707757.796 1399320.513 5846787.818 5473220.007 6934693.142 4973370.436 4968648.473 963353.4141 1377383.638 1493325.083 1165289.489 1423196.376 3923597.045 3566459.558 2132910.216 2585353.833 1537530.439 1346715.673 964897.174 913952.8859 934295.1551 1109756.749 2979337.039 3669759.618 4643801.525 3768515.056 4467929.921 1623714.43 1164649.463 986721.5961 960598.5335 1217749.663 4317209.592 3888820.063 4864746.844 4647369.038 5615447.443 4933535.055 4470018.432 2887396.313 6952528.969 NA 1125548.753 1550432.823 2451372.501 1588385.315 1326919.033 5333188.783 7034440.636 6813176.31 9605551.738 6921186.228 |
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