Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C29H36N5O18P
- Molecular weight
- 773.6 g/mol
- IUPAC name
- (2S)-2-[[(4S)-4-carboxy-4-[[(2S)-2-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoyl]amino]butanoyl]amino]pentanedioic acid
- SMILES
- C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O
- InChIKey
- XXFFZHQKSZLLIT-NALJQGANSA-N
- XLogP
- -5.1
- Polar surface area
- 365 Ų
- H-bond donors
- 11
- H-bond acceptors
- 19
- Formal charge
- 0
via PubChem
Wikidata facts
- Has part
- carbon
- Mass
- 773.179296
Show 5 more facts
- subject has role
- cofactor
- Commons category
- Cofactor F420
- canonical SMILES
- CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O
- chemical formula
- C₂₉H₃₆N₅O₁₈P
- isomeric SMILES
- C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O
Sources (2)
via Wikidata · CC0