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2-methyl-3-oxobutanoyl-CoA

MNXM737650 is deprecated and here replaced by MNXM1104585
!!! Alternative mappings exist !!!
PropertiesImageOccurences in reactions
MNX_IDMNXM1104585Image of MNXM1104585
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 6
formulaC26H38N7O18P3S
charge-4
mass861.12288
referencechebi:57335
InChIKeyNHNODHRSCRALBF-NQNBQJKNSA-J
InChIInChI=1S/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33/h11-13,15,18-20,24,36-37H,5-10H2,1-4H3,(H,28,35)(H,29,38)(H,43,44)(H,45,46)(H2,27,30,31)(H2,40,41,42)/p-4/t13?,15-,18-,19-,20+,24-/m1/s1
SMILESCC(=O)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
IdentifierDescription
CHEBI:57335
chebi:57335 		2-methyl-3-oxobutanoyl-CoA
2-methylacetoacetyl-CoA tetraanion
2-methylacetoacetyl-CoA(4-)
2-methylacetoacetyl-coenzyme A(4-)
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}
bigg.metabolite:2maacoa
biggM:2maacoa 		2-Methyl-3-acetoacetyl-CoA
sabiork.compound:6566
sabiorkM:6566
kegg.compound:C03344
keggC:C03344 		2-Methylacetoacetyl-CoA
2-Methyl-3-acetoacetyl-CoA
seed.compound:cpd02124
seedM:cpd02124 		2-Methylacetoacetyl-CoA
2-Methyl-3-acetoacetyl-CoA
2-methyl-3-acetoacetyl-CoA
2-methyl-acetoacetyl-CoA
2-methylacetoacetyl coenzyme A
2-methylacetoacetyl-CoA
2maacoa
Coenzyme A, S-(2-methyl-3-oxobutanoate)
M_2_Methyl_3_acetoacetyl_CoA
lipidmaps:LMFA07050189
lipidmapsM:LMFA07050189 		2-Methylacetoacetyl-CoA
2-methyl-3-acetoacetyl-coenzyme A
2-methylacetoacetyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
CoA 5:1
O
reactome:R-ALL-70836
reactomeM:R-ALL-70836
CHEBI:15476
chebi:15476 		2-methylacetoacetyl-CoA
2-Methyl-3-acetoacetyl-CoA
2-Methylacetoacetyl-CoA
2-methyl-3-acetoacetyl-CoA
2-methyl-3-acetoacetyl-coenzyme A
2-methylacetoacetyl-coenzyme A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
metacyc.compound:2-METHYL-ACETO-ACETYL-COA
metacycM:2-METHYL-ACETO-ACETYL-COA 		2-methylacetoacetyl-CoA
2-methyl-3-acetoacetyl-CoA
2-methylacetoacetyl coenzyme A
Coenzyme A, S-(2-methyl-3-oxobutanoate)
chebi:11613
chebi:1195
chebi:19687
biggM:M_2maacoa
keggC:M_C03344
seedM:M_cpd02124 		secondary/obsolete/fantasy identifier