Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C55H70MgN4O6
- Molecular weight
- 907.5 g/mol
- IUPAC name
- magnesium methyl (3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate
- SMILES
- CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5[C@H]([C@@H](C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C4=O)C(=O)OC)C)C=O.[Mg+2]
- InChIKey
- NSMUHPMZFPKNMZ-VBYMZDBQSA-M
- Polar surface area
- 113 Ų
- H-bond donors
- 0
- H-bond acceptors
- 10
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chlorophyll
- Has part
- oxygen
- Mass
- 907.5218541120901
Show 5 more facts
- canonical SMILES
- CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2]
- chemical formula
- C₅₅H₇₀MgN₄O₆
- Commons category
- Chlorophyll b
- subject has role
- primary metabolite
- isomeric SMILES
- C=Cc1c(C)c2[n-]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Mg+2]
Sources (5)
via Wikidata · CC0