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decanoyl-CoA

PropertiesImageOccurences in reactions
MNX_IDMNXM1092836Image of MNXM1092836
#reac
in my sandbox 0
in MNXref (generic)76
in models (compartimentalized) 42
formulaC31H50N7O17P3S
charge-4
mass917.752
referencechebi:61430
InChIKeyCNKJPHSEFDPYDB-HSJNEKGZSA-J
InChIInChI=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[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:22](=[O:40])[S:59][CH2:15][CH2:14][N:33]=[C:21]([CH2:12][CH2:13][N:34]=[C:29]([C@@H:26]([C:31]([CH3:2])([CH3:3])[CH2:17][O:52][P:58]([OH:49])(=[O:50])[O:55][P:57]([OH:47])(=[O:48])[O:51][CH2:16][C@@H:20]1[C@@H:25]([O:54][P:56]([OH:44])([OH:45])=[O:46])[C@@H:24]([OH:41])[C@H:30]([n:38]2[cH:19][n:37][c:23]3[c:27]([NH2:32])[n:35][cH:18][n:36][c:28]32)[O:53]1)[OH:42])[OH:43])[OH:39]
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
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
vmhM:dcacoa
vmhmetabolite:dcacoa 		Decanoyl-CoA (n-C10:0CoA)
{[(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)phosphor
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:HMDB0304325 decanoyl-CoA
10:0-CoA
C10:0-CoA
Capryl-CoA
Capryl-coenzyme A
Decanoyl-coenzyme A
coenzyme A, S-Decanoate
coenzyme A, S-Decanoic acid
decanoyl-coa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-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
hmdb:HMDB06404
chebi:23575
chebi:4348
biggM:M_dcacoa
biggM:M_deccoa
keggC:M_C05274
seedM:M_cpd03128 		secondary/obsolete/fantasy identifier