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(2E)-octadecenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104783

	#reac
in my sandbox	0
in MNXref (generic)	19
in models (compartimentalized)	31

formula

C₃₉H₆₄N₇O₁₇P₃S

charge

-4

mass

1027.33142

reference

chebi:71412

InChIKey

NBCCUIHOHUKBMK-ZDDAFBBHSA-J

InChI

InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h18-19,26-28,32-34,38,49-50H,4-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b19-18+/t28-,32-,33-,34+,38-/m1/s1

SMILES

CCCCCCCCCCCCCCC/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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:71412 chebi:71412	(2E)-octadecenoyl-CoA (2E)-octadec-2-enoyl-CoA(4-) (2E)-octadec-2-enoyl-coenzyme A(4-) (2E)-octadecenoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-octadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate} trans-2-octadecenoyl-CoA(4-) trans-2-octadecenoyl-coenzyme A(4-)
seed.compound:cpd14937 seedM:cpd14937	(2E)-Octadecenoyl-CoA (2E)-octadec-2-enoyl-CoA (2E)-octadecenoyl-CoA od2coa trans-2,3-dihydro-stearenoyl-CoA trans-Octadec-2-enoyl-CoA trans-octadec-2-enoyl-CoA
kegg.compound:C16218 keggC:C16218	(2E)-Octadecenoyl-CoA trans-Octadec-2-enoyl-CoA
metacyc.compound:CPD-10262 metacycM:CPD-10262	(2E)-octadec-2-enoyl-CoA trans-2,3-dihydro-stearenoyl-CoA trans-octadec-2-enoyl-CoA
SLM:000000817 slm:000000817	(2E)-octadecenoyl-CoA
hmdb:HMDB0062633	Trans-2-octadecenoyl-CoA (2E)-Octadecenoyl-CoA (e)-2-Octadecenoyl-CoA (e)-2-Octadecenoyl-coenzyme A (e)-Octadec-2-enoyl-CoA (e)-Octadec-2-enoyl-coenzyme A trans-Octadec-2-enoyl-CoA trans-Octadec-2-enoyl-coenzyme A trans-octadec-2-enoyl-coa {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2E)-octadec-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
bigg.metabolite:od2coa biggM:od2coa	Trans-Octadec-2-enoyl-CoA
sabiork.compound:18861 sabiorkM:18861	trans-2-Octadecenoyl-CoA
lipidmaps:LMFA07050385 lipidmapsM:LMFA07050385	trans-2-octadecenoyl-CoA (2E)-Octadecenoyl-CoA (E)-2-octadecenoyl-CoA (E)-2-octadecenoyl-coenzyme A (E)-octadec-2-enoyl-CoA (E)-octadec-2-enoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-octadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} CoA 18:1 trans-octadec-2-enoyl-CoA trans-octadec-2-enoyl-coenzyme A
reactome:R-ALL-548809 reactomeM:R-ALL-548809 CHEBI:50570 chebi:50570	trans-2-octadecenoyl-CoA (2E)-Octadecenoyl-CoA (E)-2-octadecenoyl-CoA (E)-2-octadecenoyl-coenzyme A (E)-octadec-2-enoyl-CoA (E)-octadec-2-enoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-octadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} trans-Octadec-2-enoyl-CoA trans-octadec-2-enoyl-CoA trans-octadec-2-enoyl-coenzyme A
hmdb:HMDB62633 biggM:M_od2coa keggC:M_C16218 seedM:M_cpd14937	secondary/obsolete/fantasy identifier