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octanoyl-CoA

Properties

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Occurences in reactions

MNX_ID

MNXM1093479

	#reac
in my sandbox	0
in MNXref (generic)	101
in models (compartimentalized)	78

formula

C₂₉H₄₆N₇O₁₇P₃S

charge

-4

mass

889.19057

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

CCCCCCCC(=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: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 sabiork.compound:2341 sabiorkM:2341 envipath:...a38aca2708eb envipathM:...a38aca2708eb 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 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