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

octanoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM1093479 #reac in my sandbox 0 in MNXref (generic) 106 in models (compartimentalized) 76 formula C29H46N7O17P3S charge -4 mass 889.698 reference chebi:57386 InChIKey KQMZYOXOBSXMII-CECATXLMSA-J InChI InChI=1S/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/t18-,22-,23-,24+,28-/m1/s1 SMILES [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:20](=[O:38])[S:57][CH2:13][CH2:12][N:31]=[C:19]([CH2:10][CH2:11][N:32]=[C:27]([C@@H:24]([C:29]([CH3:2])([CH3:3])[CH2:15][O:50][P:56]([OH:47])(=[O:48])[O:53][P:55]([OH:45])(=[O:46])[O:49][CH2:14][C@@H:18]1[C@@H:23]([O:52][P:54]([OH:42])([OH:43])=[O:44])[C@@H:22]([OH:39])[C@H:28]([n:36]2[cH:17][n:35][c:21]3[c:25]([NH2:30])[n:33][cH:16][n:34][c:26]32)[O:51]1)[OH:40])[OH:41])[OH:37]

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Similar chemical compounds in external resources

Identifier	Description
CHEBI:57386 chebi:57386	octanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate) capryloyl-CoA tetraanion capryloyl-CoA(4-) capryloyl-coenzyme A(4-) octanoyl-CoA tetraanion octanoyl-CoA(4-) octanoyl-coenzyme A(4-)
bigg.metabolite:octcoa biggM:octcoa envipath:...a38aca2708eb envipathM:...a38aca2708eb sabiork.compound:2341 sabiorkM:2341 kegg.compound:C01944 keggC:C01944	Octanoyl-CoA
bigg.metabolite:occoa biggM:occoa	Octanoyl-CoA (n-C8:0CoA)
hmdb:HMDB0001070	Octanoyl-CoA Capryloyl-CoA Capryloyl-coenzyme A Octanoyl-coenzyme A octanoyl-coenzyme A {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(octanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050355 lipidmapsM:LMFA07050355	Octanoyl-CoA CoA 8:0 {[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(octanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd01335 seedM:cpd01335	Octanoyl-CoA Octanoyl-CoA (n-C8:0CoA) capryloyl-CoA occoa octanoyl-CoA
SLM:000000707 slm:000000707	octanoyl-CoA
reactome:R-ALL-390303 reactomeM:R-ALL-390303 reactome:R-ALL-77337 reactomeM:R-ALL-77337 CHEBI:15533 chebi:15533	octanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) 8:0-CoA C8:0-CoA Coenzyme A, S-octanoate Octanoyl-CoA Octanoyl-coa Octanoyl-coenzyme A capryloyl-CoA capryloyl-coenzyme A n-octanoyl-CoA octanoylcoenzyme A octylyl-CoA octylyl-coenzyme A
metacyc.compound:CPD-196 metacycM:CPD-196	octanoyl-CoA OctCoA Octanoyl-CoA (n-C8:0CoA) capryloyl-CoA
hmdb:HMDB0006257 hmdb:HMDB01070 hmdb:HMDB06257 chebi:14681 chebi:25651 chebi:41542 chebi:7724 biggM:M_occoa biggM:M_octcoa keggC:M_C01944 seedM:M_cpd01335	secondary/obsolete/fantasy identifier