BiGG Metabolite 2mbcoa

(S)-2-methylbutanoyl-CoA(4-)

Default Component

2mbcoa:-4

CHEBI:88166

Molecular Mass||g/mol: 847.621^[0], 848.0^[1], 851.0^[2]
SMILES: CC[C@H](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-]^[0,2], CCC(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-]^[1]
Names: (2S)-2-methylbutanoyl-CoA^[0], (S)-2-methylbutyryl-CoA(4-)^[0], (S)-2-methylbutyryl-coenzyme A(4-)^[0], (S)-2-methylbutanoyl-coenzyme A(4-)^[0], 2-Methylbutyryl-CoA^[1], 2-Methylbutanoyl-CoA^[1], 2-methylbutanoyl-CoA^[1], 2-methylbutyryl-CoA^[1], M_2_Methyl_butyryl_CoA^[1], S-2-methyl-butyryl-CoA^[1], alpha-methylbutanoyl-CoA^[1], alpha-methylbutyryl-CoA^[1], (S)-2-Methylbutanoyl-CoA^[2]

Data Sources: [0] CHEBI:88166 via ChEBI, [1] cpd00760 via ModelSEED, [2] cpd19174 via ModelSEED

Data Sources: [0] CHEBI:88166 via ChEBI, [1] cpd00760 via ModelSEED, [2] cpd19174 via ModelSEED

Alternative Component

2mbcoa:0

CHEBI:90222

Molecular Mass||g/mol: 851.653^[0]
SMILES: CC[C@H](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^[0]
Names: (S)-2-methylbutyryl-CoA^[0], (S)-2-methylbutanoyl-coenzyme A^[0], (S)-2-methylbutyryl-coenzyme A^[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}^[0]

Data Sources: [0] CHEBI:90222 via ChEBI

Data Sources: [0] CHEBI:90222 via ChEBI

	BiGG ID	Compartment	Charge	Model	Organism
	BiGG ID	Compartment	Charge	Model	Organism