Carbon dioxide reduction factor
Basic information
- CAS
89873-36-9- Standard SMILES
NCc1cc(COc2ccc(CCN(C(=O)CC[C@H](NC(=O)CCC(C(=O)O)C(CCC(=O)O)C(=O)O)C(=O)O)[C@@H](CCC(N)=O)C(=O)O)cc2)co1- InChIKey
OATFQXAGPZGIAC-HDLCADABSA-N- Molecular formula
- C34H44N4O15
- Average molar mass
- 748.7 g/mol
- Monoisotopic mass
- 748.28031671
Overview
coenzyme of methanogenesis from carbon dioxide; can exist in amine & formamide form; structure given in first source
Names & identifiers
- Preferred name
- Carbon dioxide reduction factor
- IUPAC
- 7-[[(1S)-4-[[(1S)-4-amino-1-carboxy-4-oxobutyl]-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acid
- English name
- carbon dioxide reduction factor
- Molecular formula
- C34H44N4O15
- Molecular weight
- 748.74
Names & synonyms
Cdr factorRefChem:918036Carbon dioxide reduction factor7-[[(1S)-4-[[(1S)-4-Amino-1-carboxy-4-oxobutyl]-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acidSCHEMBL298846407-(((S)-4-(((S)-4-amino-1-carboxy-4-oxobutyl)(4-((5-(aminomethyl)furan-3-yl)methoxy)phenethyl)amino)-1-carboxy-4-oxobutyl)amino)-7-oxoheptane-1,3,4-tricarboxylic acidL-glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-L-gamma-glutamyl-N~2~-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-methanofuranL-Glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-L-γ-glutamyl-N-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-
Database identifiers
- CAS
89873-36-9- PubChem CID
- 146103
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 327 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 26
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,290
Physicochemical properties
- Boiling point
- 1126.5 · 1126.5±65.0 °C(Predicted)
- Density
- 1.406 · 1.406±0.06 g/cm3(Predicted)
- pka
- 3.46 · 3.46±0.10(Predicted)
Chemistry & industry
Applications
DescriptionCarbon dioxide reduction factor is a coenzyme of methanogenesis from carbon dioxide; can exist in amine & formamide form.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…