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nonanoyl-CoA

MNXM1104671 is deprecated and replaced by MNXM1104669
PropertiesImage
MNX_IDMNXM1104669 Image of MNXM1104669
referencechebi:76291
formulaC30H48N7O17P3S
global charge-4
mol weight903.735
InChIKeyWLDUTYVSAGSKIV-FUEUKBNZSA-J
InChIInChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1
SMILESCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1 Image of MNXM1104669
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:21](=[O:39])[S:58][CH2:14][CH2:13][N:32]=[C:20]([CH2:11][CH2:12][N:33]=[C:28]([C@@H:25]([C:30]([CH3:2])([CH3:3])[CH2:16][O:51][P:57]([OH:48])(=[O:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:15][C@@H:19]1[C@@H:24]([O:53][P:55]([OH:43])([OH:44])=[O:45])[C@@H:23]([OH:40])[C@H:29]([N:37]2[CH:18]=[N:36][C:22]3=[C:26]([NH2:31])[N:34]=[CH:17][N:35]=[C:27]32)[O:52]1)[OH:41])[OH:42])[OH:38]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76291
chebi:76291
WLDUTYVSAGSKIV-FUEUKBNZSA-J 		nonanoyl-CoA
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
nonanoyl-CoA(4-)
nonanoyl-coenzyme A(4-)

bigg.metabolite:M02616
biggM:M02616
bigg.metabolite:noncoa
biggM:noncoa
WLDUTYVSAGSKIV-FUEUKBNZSA-J 		Nonanoyl Coenzyme A

sabiork.compound:5901
sabiorkM:5901
kegg.compound:C01942
keggC:C01942
WLDUTYVSAGSKIV-FUEUKBNZSA-N 		Nonanoyl-CoA
hmdb:HMDB0013028
WLDUTYVSAGSKIV-FUEUKBNZSA-J 		Nonanoyl-CoA
4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(nonanoylsulfanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidate
4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(nonanoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidate
4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-(2-{[2-(nonanoylsulphanyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)butanimidic acid
Nonanoyl-coenzyme A
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-({[hydroxy([hydroxy(3-hydroxy-2,2-dimethyl-3-[(2-{[2-(nonanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy)phosphoryl]oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxyphosphonic acid
coenzyme A S-Nonanoate
coenzyme A S-Nonanoic acid
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(nonanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd01333
seedM:cpd01333
WLDUTYVSAGSKIV-FUEUKBNZSA-J 		Nonanoyl-CoA
nonanoyl-CoA

vmhM:M02616
vmhmetabolite:M02616
WLDUTYVSAGSKIV-FUEUKBNZSA-J 		Nonanoyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(nonanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy

metacyc.compound:CPD-7302
metacycM:CPD-7302
SLM:000389357
slm:000389357
WLDUTYVSAGSKIV-FUEUKBNZSA-J 		nonanoyl-CoA

lipidmaps:LMFA07050354
lipidmapsM:LMFA07050354
WLDUTYVSAGSKIV-FUEUKBNZSA-N 		nonanoyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
CoA 9:0
CoA S-nonaoate
Coenzyme A, S-nonanoate
Nonanoyl-coa
Nonanoyl-coenzyme A

CHEBI:27770
chebi:27770
WLDUTYVSAGSKIV-FUEUKBNZSA-N 		nonanoyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
CoA S-nonaoate
Coenzyme A, S-nonanoate
Nonanoyl-CoA
Nonanoyl-coa
Nonanoyl-coenzyme A

vmhM:noncoa
vmhmetabolite:noncoa
WLDUTYVSAGSKIV-FUEUKBNZSA-J 		nonanoylcoa
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol

hmdb:HMDB13028
chebi:25581
chebi:7617
biggM:M_M02616
biggM:M_noncoa
keggC:M_C01942
seedM:M_cpd01333
vmhM:M_M02616
vmhM:M_noncoa 		secondary/obsolete/fantasy identifier