**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

octadecanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1104352 #reac in my sandbox 0 in MNXref (generic) 211 in models (compartimentalized) 99 formula C39H66N7O17P3S charge -4 mass 1029.968 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 [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:30](=[O:48])[S:67][CH2:23][CH2:22][N:41]=[C:29]([CH2:20][CH2:21][N:42]=[C:37]([C@@H:34]([C:39]([CH3:2])([CH3:3])[CH2:25][O:60][P:66]([OH:57])(=[O:58])[O:63][P:65]([OH:55])(=[O:56])[O:59][CH2:24][C@@H:28]1[C@@H:33]([O:62][P:64]([OH:52])([OH:53])=[O:54])[C@@H:32]([OH:49])[C@H:38]([n:46]2[cH:27][n:45][c:31]3[c:35]([NH2:40])[n:43][cH:26][n:44][c:36]32)[O:61]1)[OH:50])[OH:51])[OH:47]

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-428139 reactomeM:R-ALL-428139 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-)
vmhM:3ohodcoa vmhM:3ohodcoa vmhmetabolite:3ohodcoa vmhmetabolite:3ohodcoa	3-Oxooctadecanoyl-CoA {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxooctadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})pho
bigg.metabolite:ocdccoa biggM:ocdccoa	Octadecanoyl-coa
bigg.metabolite:stcoa biggM:stcoa	Stearoyl-CoA (n-C18:0CoA)
vmhM:stcoa vmhM:stcoa vmhmetabolite:stcoa vmhmetabolite:stcoa	Stearoyl-CoA (n-C18:0CoA) {[(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-(octadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphor
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
hmdb:HMDB0001114	Stearoyl-CoA C18:0-CoA C18:0-coenzyme A Octadecanoyl-CoA Octadecanoyl-coenzyme A S-Stearoyl-CoA S-Stearoylcoenzyme A Stearoyl coenzyme A Stearoyl-coenzyme A Stearyl coenzyme A Stearyl-CoA Stearyl-coenzyme A stearoyl-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-(octadecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
kegg.compound:C00412 keggC:C00412	Stearoyl-CoA Octadecanoyl-CoA Stearyl coenzyme A Stearyl-CoA
sabiork.compound:5079 sabiorkM:5079	Stearoyl-CoA Stearyl coenzyme A Stearyl-CoA
SLM:000000441 slm:000000441	octadecanoyl-CoA
seed.compound:cpd16825 seedM:cpd16825	octadecanoyl-CoA octdecancoa
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
hmdb:HMDB01114 chebi:15107 chebi:26754 chebi:9256 biggM:M_ocdccoa biggM:M_stcoa keggC:M_C00412 seedM:M_cpd00327 seedM:M_cpd16825	secondary/obsolete/fantasy identifier