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(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM145934Image of MNXM145934
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
formulaC49H74N7O17P3S
charge-4
mass1157.40967
referencechebi:74312
InChIKeyVBQUMILRYSEOOQ-WWHNOTAJSA-J
InChIInChI=1S/C49H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-40(58)77-33-32-51-39(57)30-31-52-47(61)44(60)49(2,3)35-70-76(67,68)73-75(65,66)69-34-38-43(72-74(62,63)64)42(59)48(71-38)56-37-55-41-45(50)53-36-54-46(41)56/h5-6,8-9,11-12,14-15,17-18,20-21,36-38,42-44,48,59-60H,4,7,10,13,16,19,22-35H2,1-3H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t38-,42-,43-,44+,48-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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
CHEBI:74312
chebi:74312 		(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4-)
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(10Z,13Z,16Z,19Z,22Z,25Z)-3-octacosa-10,13,16,19,22,25-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
C28:6(omega-3)-CoA(4-)
all-cis-(omega-3)-octacosahexaenoyl-CoA(4-)
kegg.compound:C21959
keggC:C21959 		(10Z,13Z,16Z,19Z,22Z,25Z)-Octacosahexaenoyl-CoA
SLM:000000768
slm:000000768 		(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA
CHEBI:74590
chebi:74590 		(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
C28:6(omega-3)-CoA
keggC:M_C21959 secondary/obsolete/fantasy identifier