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2-trans-9,12,15,18,21-all-cis-tetracosahexaenoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1102106Image of MNXM1102106
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
formulaC45H66N7O17P3S
charge-4
mass1101.34707
referencebiggM:CE4816
InChIKeyMMZJVINJFSRJOK-JSBHBCGUSA-J
InChIInChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,24-25,32-34,38-40,44,55-56H,4,7,10,13,16,19-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,25-24+/t34-,38+,39+,40-,44-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
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Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE4816
biggM:CE4816
2-trans-9,12,15,18,21-all-cis-tetracosahexaenoyl-CoA
hmdb:HMDB0060218 2-trans-9,12,15,18,21-all-cis-Tetracosahexaenoyl-CoA
(2R)-4-({[({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,9,12,15,18,21-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
(2R)-4-[({[(2S,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-2-hydroxy-3,3-dimethyl-N-[2-({2-[(2E,9Z,12Z,15Z,18Z,21Z)-tetracosa-2,9,12,15,18,21-hexaenoylsulfanyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]butanimidic acid
hmdb:HMDB60218
biggM:M_CE4816
secondary/obsolete/fantasy identifier