Basic information
- Standard SMILES
CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O- InChIKey
NDXWOBMYCGMMBF-QEWSFFBISA-N- Molecular formula
- C31H51N10O22P3S2
- Average molar mass
- 1,072.8 g/mol
Names & identifiers
- Preferred name
- glutathionyl-coenzyme A
- IUPAC
- (2S)-2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylamino]-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
glutathionyl-coenzyme ANDXWOBMYCGMMBF-QEWSFFBISA-N
Database identifiers
- PubChem CID
- 86755643
Properties
Computed structural properties
- XLogP
- -9.8
- Topological polar surface area
- 518 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 30
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,910
Related reactions
1 records
Compound notes
Loading…