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2-methylpropenoyl-CoA

MNXM947 is deprecated and here replaced by MNXM1104781
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104781 Image of MNXM1104781
referencechebi:62500
formulaC25H36N7O17P3S
global charge-4
mol weight831.584
InChIKeyNPALUEYCDZWBOV-NDZSKPAWSA-J
InChIInChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/p-4/t14-,17-,18-,19+,23-/m1/s1
SMILESC=C(C)C(=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/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1 Image of MNXM1104781
SMILES (mnx)[CH2:1]=[C:13]([CH3:2])[C:24](=[O:37])[S:53][CH2:8][CH2:7][N:27]=[C:15]([CH2:5][CH2:6][N:28]=[C:22]([C@@H:19]([C:25]([CH3:3])([CH3:4])[CH2:10][O:46][P:52]([OH:43])(=[O:44])[O:49][P:51]([OH:41])(=[O:42])[O:45][CH2:9][C@@H:14]1[C@@H:18]([O:48][P:50]([OH:38])([OH:39])=[O:40])[C@@H:17]([OH:34])[C@H:23]([N:32]2[CH:12]=[N:31][C:16]3=[C:20]([NH2:26])[N:29]=[CH:11][N:30]=[C:21]32)[O:47]1)[OH:35])[OH:36])[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62500
chebi:62500
NPALUEYCDZWBOV-NDZSKPAWSA-J 		2-methylpropenoyl-CoA
2-methylprop-2-enoyl-CoA(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] diphosphate}
methacrylyl-CoA(4-)

bigg.metabolite:2mp2coa
biggM:2mp2coa
NPALUEYCDZWBOV-NDZSKPAWSA-J 		2-Methylprop-2-enoyl-CoA

sabiork.compound:6641
sabiorkM:6641
kegg.compound:C03460
keggC:C03460
NPALUEYCDZWBOV-NDZSKPAWSA-N 		2-Methylprop-2-enoyl-CoA
Methacrylyl-CoA
Methylacrylyl-CoA

vmhM:2mp2coa
vmhmetabolite:2mp2coa
NPALUEYCDZWBOV-NDZSKPAWSA-J 		2-Methylprop-2-enoyl-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-[(2-methylprop-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propox

seed.compound:cpd02187
seedM:cpd02187
NPALUEYCDZWBOV-NDZSKPAWSA-J 		Methacrylyl-CoA
2-Methylprop-2-enoyl-CoA
2-methylprop-2-enoyl-CoA
2mp2coa
M_Methylacrylyl_CoA
Methylacrylyl-CoA
methacrylyl-CoA
methacrylyl-coenzyme A
methylacrylyl-CoA
hmdb:HMDB0001011
NPALUEYCDZWBOV-NDZSKPAWSA-N 		Methacrylyl-CoA
2-Methylprop-2-enoyl-CoA
Methacryloyl-CoA
Methacryloyl-coenzyme A
Methacrylyl coenzyme A
Methacrylyl-coenzyme A
Methylacrylyl-CoA
Methylacrylyl-coenzyme A
S-Methacryloyl-CoA
S-Methacryloyl-coenzyme A
coenzyme A, Methacrylyl
methacrylyl-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-[(2-methylprop-2-enoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid

lipidmaps:LMFA07050350
lipidmapsM:LMFA07050350
NPALUEYCDZWBOV-NDZSKPAWSA-N 		Methacrylyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
CoA 4:1
Methacrylyl-coenzyme A
S-methacryloyl-CoA
S-methacryloyl-coenzyme-A

SLM:000485722
slm:000485722
NPALUEYCDZWBOV-NDZSKPAWSA-J 		methacrylyl-CoA

reactome:R-ALL-70858
reactomeM:R-ALL-70858
CHEBI:27754
chebi:27754
NPALUEYCDZWBOV-NDZSKPAWSA-N 		methacrylyl-CoA
2-Methylprop-2-enoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Methacrylyl-CoA
Methacrylyl-coenzyme A
Methylacrylyl-CoA
S-methacryloyl-CoA
S-methacryloyl-coenzyme-A

metacyc.compound:METHACRYLYL-COA
metacycM:METHACRYLYL-COA
NPALUEYCDZWBOV-NDZSKPAWSA-J 		methylacrylyl-CoA
2-methylprop-2-enoyl-CoA
methacrylyl-CoA
methacrylyl-coenzyme A

hmdb:HMDB01011
chebi:1208
chebi:19706
biggM:M_2mp2coa
keggC:M_C03460
seedM:M_cpd02187
vmhM:M_2mp2coa 		secondary/obsolete/fantasy identifier