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acryloyl-CoA

MNXM1104673 is deprecated and here replaced by MNXM1364005
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364005 Image of MNXM1364005
referencechebi:57367
formulaC24H34N7O17P3S
global charge-4
mol weight817.557
InChIKeyPOODSGUMUCVRTR-IEXPHMLFSA-J
InChIInChI=1S/C24H38N7O17P3S/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/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(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
SMILESC=CC(=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/C24H38N7O17P3S/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/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(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 MNXM1364005
SMILES (mnx)[CH2:1]=[CH:4][C:15](=[O:33])[S:52][CH2:8][CH2:7][N:26]=[C:14]([CH2:5][CH2:6][N:27]=[C:22]([C@@H:19]([C:24]([CH3:2])([CH3:3])[CH2:10][O:45][P:51]([OH:42])(=[O:43])[O:48][P:50]([OH:40])(=[O:41])[O:44][CH2:9][C@@H:13]1[C@@H:18]([O:47][P:49]([OH:37])([OH:38])=[O:39])[C@@H:17]([OH:34])[C@H:23]([N:31]2[CH:12]=[N:30][C:16]3=[C:20]([NH2:25])[N:28]=[CH:11][N:29]=[C:21]32)[O:46]1)[OH:35])[OH:36])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)25
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57367
chebi:57367
POODSGUMUCVRTR-IEXPHMLFSA-J 		acryloyl-CoA
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} diphosphate)
acryloyl-CoA(4-)

sabiork.compound:2181
sabiorkM:2181
POODSGUMUCVRTR-IEXPHMLFSA-N 		Acryloyl-CoA
Acrylyl-CoA
Propenoyl-CoA
hmdb:HMDB0002307
POODSGUMUCVRTR-IEXPHMLFSA-N 		Acrylyl-CoA
Acryloyl coenzyme A
Acryloyl-CoA
Acryloyl-coenzyme A
Acrylyl coenzyme A
Acrylyl-coenzyme A
Propenoyl-CoA
Propenoyl-coenzyme A
acrylyl-coa
coenzyme A, S-2-Propenoate
coenzyme A, S-2-Propenoic acid
{[(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-(prop-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

seed.compound:cpd00663
seedM:cpd00663
POODSGUMUCVRTR-IEXPHMLFSA-J 		Acrylyl-CoA
Acryloyl-CoA
Propenoyl-CoA
acryloyl-CoA
acrylyl-CoA
acrylyl-coenzyme A
propenoyl-CoA

bigg.metabolite:prpncoa
biggM:prpncoa
POODSGUMUCVRTR-IEXPHMLFSA-J 		Propenoyl-CoA

kegg.compound:C00894
keggC:C00894
POODSGUMUCVRTR-IEXPHMLFSA-N 		Propenoyl-CoA
Acryloyl-CoA
Acrylyl-CoA

SLM:000501101
slm:000501101
POODSGUMUCVRTR-IEXPHMLFSA-J 		acryloyl-CoA

vmhM:prpncoa
vmhmetabolite:prpncoa
POODSGUMUCVRTR-IEXPHMLFSA-J 		acryloyl-CoA(4-)
{[(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-(prop-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy]phosphor

lipidmaps:LMFA07050282
lipidmapsM:LMFA07050282
POODSGUMUCVRTR-IEXPHMLFSA-N 		acryloyl-CoA
2-propenyl-CoA
Acryloyl-coa
Acryloyl-coenzyme A
Acrylyl-coa
CoA 3:1
Coenzyme A, S-2-propenoate

CHEBI:15513
chebi:15513
POODSGUMUCVRTR-IEXPHMLFSA-N 		acryloyl-CoA
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Acryloyl-CoA
Acryloyl-coa
Acryloyl-coenzyme A
Acrylyl-CoA
Acrylyl-coa
Coenzyme A, S-2-propenoate
Propenoyl-CoA

metacyc.compound:ACRYLYL-COA
metacycM:ACRYLYL-COA
POODSGUMUCVRTR-IEXPHMLFSA-J 		acryloyl-CoA
acrylyl-CoA
acrylyl-coenzyme A
propenoyl-CoA

hmdb:HMDB0006507
hmdb:HMDB02307
hmdb:HMDB06507
chebi:13722
chebi:26301
chebi:8488
biggM:M_prpncoa
keggC:M_C00894
seedM:M_cpd00663
vmhM:M_prpncoa 		secondary/obsolete/fantasy identifier