1. Home
  2. Models
  3. iCN900
  4. Metabolites
  5. aacoa_c:-4
aacoa_c:-4 in iCN900
  • acetoacetyl-CoA(4-)
  • Charge: -4
  • Formula: C25H36N7O18P3S
  • Compartment: c - cytosol
  • Universal Metabolite: aacoa
CHEBI:57286
  • acetoacetyl-CoA(4-)
  • Type: Small Molecule
  • InChiKey: OJFDKHTZOUZBOS-CITAKDKDSA-J
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 847.576[0], 848.0[1]
  • SMILES: CC(=O)CC(=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: acetoacetyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}[0], acetoacetyl-CoA tetraanion[0], acetoacetyl-coenzyme A(4-)[0], Acetoacetyl-CoA[1], 3-Acetoacetyl-CoA[1], 3-acetoacetyl-CoA[1], Acetoacetyl coenzyme A[1], acetoacetyl-S-CoA[1]
Data Sources: [0] CHEBI:57286 via ChEBI, [1] cpd00279 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:57286 via ChEBI, [1] cpd00279 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 aacoa_c in iCN900
  BiGG ID Name Reference Transport Collection-specific Model
  BiGG ID Name Reference Transport Collection-specific Model