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(9E)-octadecenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105957

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	3

formula

C₃₉H₆₄N₇O₁₇P₃S

charge

-4

mass

1027.33142

reference

chebi:77537

InChIKey

XDUHQPOXLUAVEE-MBEFLBOUSA-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/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11+/t28-,32-,33-,34+,38-/m1/s1

SMILES

CCCCCCCC/C=C/CCCCCCCC(=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:77537 chebi:77537	(9E)-octadecenoyl-CoA (9E)-octadecenoyl-coenzyme(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9E)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate} elaidoyl-CoA elaidoyl-coenzyme A trans-9-octadecenoyl-CoA(4-) trans-9-octadecenoyl-coenzyme A(4-)
seed.compound:cpd22623 seedM:cpd22623	(9E)-octadec-9-enoyl-CoA 18:1 trans-9 elaidoyl-CoA oleoyl-CoA (trans) trans-octadec-9-enoyl-CoA
SLM:000389515 slm:000389515	(9E)-octadecenoyl CoA
metacyc.compound:CPD-10270 metacycM:CPD-10270	elaidoyl-CoA (9E)-octadec-9-enoyl-CoA 18:1 trans-9 trans-octadec-9-enoyl-CoA
CHEBI:78146 chebi:78146	trans-9-octadecenoyl-CoA (9E)-octadecenoyl CoA (9E)-octadecenoyl-coenzyme 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9E)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} elaidoyl-CoA elaidoyl-coenzyme A trans-9-octadecenoyl-coenzyme A
seedM:M_cpd22623	secondary/obsolete/fantasy identifier