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propanoyl-CoA

PropertiesImage
MNX_IDMNXM1364266 Image of MNXM1364266
referencechebi:57392
formulaC24H36N7O17P3S
global charge-4
mol weight819.573
InChIKeyQAQREVBBADEHPA-IEXPHMLFSA-J
InChIInChI=1S/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/p-4/t13-,17-,18-,19+,23-/m1/s1
SMILESCCC(=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-]
MNX internals
InChI (mnx)InChI=1/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1 Image of MNXM1364266
SMILES (mnx)[C@@H:1]1([O:38]2[O:39]3=[O:41]([O:43]=[O:40]2)[O:44]([OH:47])=[O:46][O:45]=[O:42]3)[CH2:2][C@@H:4]([O:32][NH:25][N:31]([CH2:24][N:30]([CH2:23][CH2:17][C:19]([CH3:18])([CH3:20])[C@H:21]([C:16]([CH2:14][CH2:12][CH2:13][C:10]([CH2:9][CH2:7][CH2:8][O:48][PH:51]([PH:49][PH2:50])=[S:52])=[CH2:11])=[CH2:15])[CH3:22])(=[NH:26])[NH2:27])(=[NH:28])[NH2:29])[C@@H:5]([O:33][O:36]([OH:34])([OH:35])=[O:37])[CH:3]1[CH3:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)175
in models (compartimentalized) 107
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57392
chebi:57392
QAQREVBBADEHPA-IEXPHMLFSA-J 		propanoyl-CoA
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
propanoyl-CoA tetraanion
propanoyl-Coenzyme A(4-)
propionyl-CoA(4-)

bigg.metabolite:ppcoa
biggM:ppcoa
QAQREVBBADEHPA-IEXPHMLFSA-J 		Propanoyl-CoA

sabiork.compound:1933
sabiorkM:1933
QAQREVBBADEHPA-IEXPHMLFSA-N 		Propanoyl-CoA
N-Propionyl-CoA
Propionyl coenzyme A
Propionyl-CoA

kegg.compound:C00100
keggC:C00100
QAQREVBBADEHPA-IEXPHMLFSA-N 		Propanoyl-CoA
Propionyl coenzyme A
Propionyl-CoA

vmhM:ppcoa
vmhM:ppcoa
vmhmetabolite:ppcoa
vmhmetabolite:ppcoa
QAQREVBBADEHPA-IEXPHMLFSA-J 		Propanoyl-CoA
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}

lipidmaps:LMFA07050364
lipidmapsM:LMFA07050364
QAQREVBBADEHPA-IEXPHMLFSA-N 		Propionyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
CoA 3:0
Propionyl-coenzyme A
S-Propionyl-coenzym-A
S-Propionylcoenzyme A
S-propanoyl-CoA
S-propanoyl-coenzyme A
propanoyl-coenzyme A
hmdb:HMDB0001275
QAQREVBBADEHPA-IEXPHMLFSA-N 		Propionyl-CoA
Propanoyl-CoA
Propanoyl-coenzyme A
Propionyl CoA
Propionyl coenzyme A
Propionyl-coenzyme A
S-Propanoyl-CoA
S-Propanoyl-coenzyme A
S-Propionyl-coenzym-a
S-Propionylcoenzyme A
n-Propionyl CoA
propionyl-coa
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-[(2-{[2-(propanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd00086
seedM:cpd00086
QAQREVBBADEHPA-IEXPHMLFSA-J 		Propionyl-CoA
Propanoyl-CoA
Propionyl coenzyme A
n-propionyl-CoA
ppcoa
propanoyl-CoA
propionyl-CoA
propionyl-coenzyme A

metacyc.compound:PROPIONYL-COA
metacycM:PROPIONYL-COA
QAQREVBBADEHPA-IEXPHMLFSA-J 		propanoyl-CoA
n-propionyl-CoA
propionyl-CoA
propionyl-coenzyme A

SLM:000389157
slm:000389157
QAQREVBBADEHPA-IEXPHMLFSA-J 		propionyl-CoA

reactome:R-ALL-192314
reactomeM:R-ALL-192314
reactome:R-ALL-70843
reactomeM:R-ALL-70843
CHEBI:15539
chebi:15539
QAQREVBBADEHPA-IEXPHMLFSA-N 		propionyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Propanoyl-CoA
Propionyl coenzyme A
Propionyl-CoA
Propionyl-coenzyme A
S-Propionyl-coenzym-A
S-Propionylcoenzyme A
S-propanoyl-CoA
S-propanoyl-coenzyme A
propanoyl-coenzyme A

hmdb:HMDB01275
chebi:14904
chebi:14907
chebi:26295
chebi:8479
biggM:M_ppcoa
keggC:M_C00100
seedM:M_cpd00086
vmhM:M_ppcoa 		secondary/obsolete/fantasy identifier