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(2E)-2-methylpropenoyl-CoA

MNXM947 is deprecated and here replaced by MNXM1104781
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104781

	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	12

formula

C₂₅H₃₆N₇O₁₇P₃S

charge

-4

mass

831.11232

reference

chebi:62500

InChIKey

NPALUEYCDZWBOV-NDZSKPAWSA-J

InChI

InChI=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

SMILES

C=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62500 chebi:62500	(2E)-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	2-Methylprop-2-enoyl-CoA
sabiork.compound:6641 sabiorkM:6641 kegg.compound:C03460 keggC:C03460	2-Methylprop-2-enoyl-CoA Methacrylyl-CoA Methylacrylyl-CoA
seed.compound:cpd02187 seedM:cpd02187	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	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	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
reactome:R-ALL-70858 reactomeM:R-ALL-70858 CHEBI:27754 chebi:27754	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	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	secondary/obsolete/fantasy identifier