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(2E,9Z)-octadecadienoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101947

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	7

formula

C₃₉H₆₂N₇O₁₇P₃S

charge

-4

mass

1025.31577

reference

chebi:77553

InChIKey

REOYMONHGHULEY-PPSVNWDXSA-J

InChI

InChI=1S/C39H66N7O17P3S/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/h11-12,18-19,26-28,32-34,38,49-50H,4-10,13-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b12-11-,19-18+/t28-,32-,33-,34+,38-/m1/s1

SMILES

CCCCCCCC/C=C\CCCCC/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:77553 chebi:77553	(2E,9Z)-octadecadienoyl-CoA (2E,9Z)-octadecadienoyl-CoA(4-) (2E,9Z)-octadecadienoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E,9Z)-octadeca-2,9-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
SLM:000389517 slm:000389517	(2E,9Z)-octadecadienoyl-CoA
CHEBI:78187 chebi:78187	(2E,9Z)-octadecadienoyl-CoA (2E,9Z)-octadecadienoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E,9Z)-octadeca-2,9-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:CPD-19172 metacycM:CPD-19172	(2E,9Z)-octadecenoyl-CoA 18:2-Delta2,Delta9-CoA 2-trans,9-cis-octadecenoyl-CoA
seed.compound:cpd31963 seedM:cpd31963	(2E,9Z)-octadecenoyl-CoA 18:2-delta2,delta9-CoA 2-trans,9-cis-octadecenoyl-CoA
sabiork.compound:18777 sabiorkM:18777	2-trans-9-trans-Octadecendienoyl-CoA (2E,9Z)-Octadecenoyl-CoA
bigg.metabolite:HC10856 biggM:HC10856	Trans,Cis-Octadeca-2,9-Dienoyl Coenzyme A
biggM:M_HC10856 seedM:M_cpd31963	secondary/obsolete/fantasy identifier