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3-oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA

MNXM164264 is deprecated and here replaced by MNXM1102112
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1102112Image of MNXM1102112
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
formulaC43H66N7O18P3S
charge-4
mass1093.34198
referencebiggM:CE4845
InChIKeyGPKHWNMCLWDFOL-YYOOZTOSSA-J
InChIInChI=1S/C43H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h8-9,11-12,14-15,29-30,32,36-38,42,54-55H,4-7,10,13,16-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/b9-8-,12-11-,15-14-/t32-,36+,37+,38-,42-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=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-]
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
bigg.metabolite:CE4845
biggM:CE4845 		3-oxo-docosa-cis,cis,cis-10,13,16-trienoyl-CoA
hmdb:HMDB0060211 3-Oxo-docosa-cis,cis,cis-10,13,16-trienoyl-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-{[(10Z,13Z,16Z)-3-oxodocosa-10,13,16-trienoyl]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-{[(10Z,13Z,16Z)-3-oxodocosa-10,13,16-trienoyl]sulfanyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}butanimidic acid
hmdb:HMDB60211
biggM:M_CE4845 		secondary/obsolete/fantasy identifier