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3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1102110Image of MNXM1102110
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 4
formulaC45H66N7O18P3S
charge-4
mass1117.34198
referencebiggM:CE4820
InChIKeyUQPANOGFYCZRAV-UWOIJHEUSA-J
InChIInChI=1S/C45H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h5-6,8-9,11-12,14-15,17-18,31-32,34,38-40,44,56-57H,4,7,10,13,16,19-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t34-,38+,39+,40-,44-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)CC(=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-]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE4820
biggM:CE4820 		3-oxo-all-cis-6,9,12,15,18-tetracosapentaenoyl-CoA
hmdb:HMDB0060220 3-oxo-all-cis-6,9,12,15,18-Tetracosapentaenoyl-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-{[(9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-9,12,15,18,21-pentaenoyl]sulfanyl}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-{[(9Z,12Z,15Z,18Z,21Z)-3-oxotetracosa-9,12,15,18,21-pentaenoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid
hmdb:HMDB60220
biggM:M_CE4820 		secondary/obsolete/fantasy identifier