Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C42H51N6NiO13-
- Molecular weight
- 906.6 g/mol
- IUPAC name
- 3-[(1R,3S,4S,5S,8R,11S,15E,17S,18S,19Z,22S,23S,29S)-5-(2-amino-2-oxoethyl)-4,22-bis(2-carboxyethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,30-tetraza-28-azanidaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.010,15]triaconta-6(30),9,15,19,21(27)-pentaen-17-yl]propanoic acid;nickel
- SMILES
- C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C(=N4)C[C@@H]5[C@H]([C@@H]6CCC(=O)/C(=C/7\[C@H]([C@@H](/C(=C/C(=N3)[C@H]2CCC(=O)O)/[N-]7)CC(=O)O)CCC(=O)O)/C6=N5)CC(=O)O)(C)CC(=O)N)CCC(=O)O.[Ni]
- InChIKey
- QFGKGCZCUVIENT-SXMZNAGASA-M
- Polar surface area
- 314 Ų
- H-bond donors
- 7
- H-bond acceptors
- 17
- Formal charge
- -1
via PubChem
Wikidata facts
- Subclass of
- heterocyclic compound
- Has part
- nickel
- Mass
- 905.286754
Show 4 more facts
- canonical SMILES
- CC12CC(=O)NC13CC4C(C(C(=N4)CC5C(C6CCC(=O)C(=C7C(C(C(=CC(=N3)C2CCC(=O)O)[N-]7)CC(=O)O)CCC(=O)O)C6=N5)CC(=O)O)(C)CC(=O)N)CCC(=O)O.[Ni]
- chemical formula
- C₄₂H₅₁N₆NiO₁₃
- isomeric SMILES
- C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C(=N4)C[C@@H]5[C@H]([C@@H]6CCC(=O)/C(=C/7\[C@H]([C@@H](/C(=C/C(=N3)[C@H]2CCC(=O)O)/[N-]7)CC(=O)O)CCC(=O)O)/C6=N5)CC(=O)O)(C)CC(=O)N)CCC(=O)O.[Ni]
- Commons category
- Cofactor F430
Sources (1)
via Wikidata · CC0