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3-oxo-(9Z-octadecenoyl)-CoA

MNXM150997 is deprecated and here replaced by MNXM1101997
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1101997

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	6

formula

C₃₉H₆₂N₇O₁₈P₃S

charge

-4

mass

1041.31068

reference

chebi:87695

InChIKey

AVEYYKDEKGJVBU-BPMMELMSSA-J

InChI

InChI=1S/C39H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h11-12,25-26,28,32-34,38,50-51H,4-10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/b12-11-/t28-,32-,33-,34+,38-/m1/s1

SMILES

CCCCCCCC/C=C\CCCCCC(=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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:87695 chebi:87695	3-oxo-(9Z-octadecenoyl)-CoA (9Z)-3-oxooctadecenoyl-CoA(4-) (9Z)-3-oxooctadecenoyl-coenzyme A(4-) 3-oxooleoyl-CoA(4-) 3-oxooleoyl-coenzyme A(4-)
bigg.metabolite:HC10858 biggM:HC10858	3-Oxooleoyl Coenzyme A
metacyc.compound:CPD-19169 metacycM:CPD-19169	3-oxo-(9Z)-octadecenoyl-CoA 3-oxo-18:1-Delta9-CoA 3-oxo-9-cis-octadecenoyl-CoA
seed.compound:cpd32253 seedM:cpd32253	3-oxo-(9Z)-octadecenoyl-CoA 3-oxo-18:1-delta9-CoA 3-oxo-9-cis-octadecenoyl-CoA
CHEBI:88007 chebi:88007	3-oxooleoyl-CoA (9Z)-3-oxooctadecenoyl-CoA (9Z)-3-oxooctadecenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(9Z)-3-oxooctadecan-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-oxooleoyl-coenzyme A
biggM:M_HC10858 seedM:M_cpd32253	secondary/obsolete/fantasy identifier