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octanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1093479Image of MNXM1093479
#reac
in my sandbox 0
in MNXref (generic)101
in models (compartimentalized) 78
formulaC29H46N7O17P3S
charge-4
mass889.19057
referencechebi:57386
InChIKeyKQMZYOXOBSXMII-CECATXLMSA-J
InChIInChI=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
SMILESCCCCCCCC(=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-]
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Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
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