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octadecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104352

	#reac
in my sandbox	0
in MNXref (generic)	144
in models (compartimentalized)	111

formula

C₃₉H₆₆N₇O₁₇P₃S

charge

-4

mass

1029.34707

reference

chebi:57394

InChIKey

SIARJEKBADXQJG-LFZQUHGESA-J

InChI

InChI=1S/C39H70N7O17P3S/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/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/t28-,32-,33-,34+,38-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCC(=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:57394 chebi:57394	octadecanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate) stearoyl-CoA tetraanion stearoyl-CoA(4-) stearoyl-coenzyme A tetraanion stearoyl-coenzyme A(4-)
bigg.metabolite:stcoa biggM:stcoa	Stearoyl-CoA (n-C18:0CoA)
lipidmaps:LMFA07050369 lipidmapsM:LMFA07050369	Stearoyl-CoA C18:0-CoA C18:0-coenzyme A CoA 18:0 Octadecanoyl-CoA S-stearoyl-CoA S-stearoylcoenzyme A octadecanoyl-CoA octadecanoyl-coenzyme A stearoyl-coenzyme A
sabiork.compound:5079 sabiorkM:5079 kegg.compound:C00412 keggC:C00412	Stearoyl-CoA Stearyl coenzyme A Stearyl-CoA
SLM:000000441 slm:000000441	octadecanoyl-CoA
reactome:R-ALL-428139 reactomeM:R-ALL-428139 CHEBI:15541 chebi:15541	stearoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) C18:0-CoA C18:0-coenzyme A S-stearoyl-CoA S-stearoylcoenzyme A Stearoyl-CoA Stearyl coenzyme A Stearyl-CoA octadecanoyl-CoA octadecanoyl-coenzyme A stearoyl-coenzyme A
metacyc.compound:STEAROYL-COA metacycM:STEAROYL-COA	stearoyl-CoA n-C18:0CoA octadecanoyl-CoA stearyl coenzyme A stearyl-CoA
seed.compound:cpd00327 seedM:cpd00327	strcoa Stearoyl-CoA Stearoyl-CoA (n-C18:0CoA) Stearyl coenzyme A Stearyl-CoA Stearyl-CoA (n-C18:0CoA) n-C18:0CoA stcoa stearoyl-CoA stearyl coenzyme A stearyl-CoA
chebi:15107 chebi:26754 chebi:9256 biggM:M_stcoa keggC:M_C00412 seedM:M_cpd00327	secondary/obsolete/fantasy identifier