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decanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1092836

	#reac
in my sandbox	0
in MNXref (generic)	63
in models (compartimentalized)	40

formula

C₃₁H₅₀N₇O₁₇P₃S

charge

-4

mass

917.22187

reference

chebi:61430

InChIKey

CNKJPHSEFDPYDB-HSJNEKGZSA-J

InChI

InChI=1S/C31H54N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/t20-,24-,25-,26+,30-/m1/s1

SMILES

CCCCCCCCCC(=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:61430 chebi:61430	decanoyl-CoA decanoyl-CoA tetraanion decanoyl-CoA(4-) decanoyl-coenzyme A tetraanion decanoyl-coenzyme A(4-)
bigg.metabolite:deccoa biggM:deccoa sabiork.compound:2751 sabiorkM:2751 kegg.compound:C05274 keggC:C05274	Decanoyl-CoA
bigg.metabolite:dcacoa biggM:dcacoa	Decanoyl-CoA (n-C10:0CoA)
hmdb:HMDB0006404	Decanoyl-CoA (n-C10:0CoA) Decanoyl coenzyme A monohydrate Decanoyl-CoA Decanoyl-coenzyme A S-Decanoate S-Decanoate coenzyme A S-Decanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-{[({3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-(decanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd03128 seedM:cpd03128	Decanoyl-CoA Decanoyl-CoA (n-C10:0CoA) dccoa decanoyl-CoA
metacyc.compound:CPD-10267 metacycM:CPD-10267 SLM:000000709 slm:000000709	decanoyl-CoA
lipidmaps:LMFA07050313 lipidmapsM:LMFA07050313	decanoyl-CoA 10:0-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) C10:0-CoA CoA 10:0 Coenzyme A, S-decanoate Decanoyl-coenzyme A capryl-CoA capryl-coenzyme A
reactome:R-ALL-77308 reactomeM:R-ALL-77308 CHEBI:28493 chebi:28493	decanoyl-CoA 10:0-CoA 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) C10:0-CoA Coenzyme A, S-decanoate Decanoyl-CoA Decanoyl-coenzyme A capryl-CoA capryl-coenzyme A
hmdb:HMDB06404 chebi:23575 chebi:4348 biggM:M_dcacoa biggM:M_deccoa keggC:M_C05274 seedM:M_cpd03128	secondary/obsolete/fantasy identifier