1. Home
  2. Models
  3. iCN900
  4. Metabolites
  5. ibcoa_c:-4
ibcoa_c:-4 in iCN900
  • isobutyryl-CoA(4-)
  • Charge: -4
  • Formula: C25H38N7O17P3S
  • Compartment: c - cytosol
  • Universal Metabolite: ibcoa
CHEBI:57338
  • isobutyryl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: AEWHYWSPVRZHCT-NDZSKPAWSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 833.592[0], 834.0[1]
  • SMILES: CC(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-][0,1]
  • Names: 2-methylpropanoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl]diphosphate}[0], isobutyryl-coenzyme A(4-)[0], isobutyryl-CoA tetraanion[0], S-(2-methylpropanoyl)-coenzyme A(4-)[0], 2-methylpropanoyl-CoA(4-)[0], 2-methylpropionyl-CoA(4-)[0], Isobutyryl-CoA[1], 2-Methylpropanoyl-CoA[1], 2-Methylpropionyl-CoA[1], 2-methylpropionyl-CoA[1], M_Isobutyryl_CoA[1], S-(2-methylpropanoyl)-CoA[1], isobutanoyl-CoA[1], isobutyryl-CoA[1], isobutyryl-coenzyme A[1]
Data Sources: [0] CHEBI:57338 via ChEBI, [1] cpd00481 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57338 via ChEBI, [1] cpd00481 via ModelSEED
MEMOTE Flags
This metabolite was flagged in the following MEMOTE tests:

This model contains 735 unconserved metabolites: ahcys_c, xmp_c, gam6p_c, agm_c, alaala_c, ...

The list of unconserved metabolites is computed using the algorithm described in section 3.2 of "Detection of Stoichiometric Inconsistencies in Biomolecular Models." Bioinformatics 24, no. 19 (2008): 2245. doi: 10.1093/bioinformatics/btn425.

Reactions involving ibcoa_c in iCN900
  BiGG ID Name Reference Transport Collection-specific Model
  BiGG ID Name Reference Transport Collection-specific Model