compounds_product.yaml

# below is desired bioproduct for engineering purpose.
- id: C01013
  name: 3-Hydroxypropanoate (3HP)
  formula: C3H5O3
  charge: -1
  source: CHEBI:16510
- id: C03044
  name: (R,R)-2,3-Butanediol (23BDO)
  formula: C4H10O2
  charge: 0
  source: CHEBI:16982
- id: C05979
  name: Propanol
  formula: C3H8O
  charge: 0
  source: CHEBI:28831
- id: C00989
  name: 4-Hydroxybutanoate (4HB)
  formula: C4H7O3
  charge: -1
  source: CHEBI:16724
- id: 14BD
  name: 1,4-Butanediol (14BD)
  formula: C4H10O2
  charge: 0
  source: CHEBI:41189
- id: C00207
  name: Acetone
  formula: C3H6O
  charge: 0
  source: CHEBI:15347

# intermediate metabolites in engineered pathways
- id: C00222
  name: 3-Oxopropanoate
  names: Malonate semialdehyde
  formula: C3H3O3
  charge: -1
  source: CHEBI:33190
- id: C00232
  name: 4-Oxobutanoate
  names: Succinate semialdehyde
  formula: C4H5O3
  charge: -1
  source: CHEBI:57706
- id: C00479
  name: Propionaldehyde
  names: Propanal
  formula: C3H6O
  charge: 0
  source: CHEBI:17153
- id: C01182
  name: D-Ribulose 1,5-bisphosphate (RuBP)
  formula: C5H8O11P2
  charge: -4
  source: CHEBI:57870
- id: C05668
  name: 3-Hydroxypropionyl-CoA
  formula: C24H36N7O18P3S
  charge: -4
  source: CHEBI:58528
- id: C00894
  name: Propenoyl-CoA
  names: Acryloyl-CoA
  formula: C24H34N7O17P3S
  charge: -4
  source: CHEBI:57367
- id: C01213
  name: (R)-Methylmalonyl-CoA
  formula: C25H35N7O19P3S
  charge: -5
  source: CHEBI:59916
- id: C11062
  name: 4-Hydroxybutyryl-CoA (4HB-CoA)
  names: 4-Hydroxybutanoyl-CoA
  formula: C25H38N7O18P3S
  charge: -4
  source: CHEBI:58574
- id: 4HBA
  name: 4-hydroxybutyraldehyde (4HBA)
  names: 4-hydroxybutanal
  formula: C4H8O2
  charge: 0
  source: ModelSeed (https://modelseed.org/biochem/compounds/cpd23932)
- id: C00332
  name: Acetoacetyl-CoA
  formula: C25H36N7O18P3S
  charge: -4
  source: CHEBI:57286
- id: C00164
  name: Acetoacetate
  names: 3-oxobutanoate
  formula: C4H5O3
  charge: -1
  source: CHEBI:13705