Structure via PubChem · Public domain (PubChem)
In the Vinony graph
Vinony's link graph records 163 inbound references to chlorophyll b, and connects out to chlorin, bacteriochlorophylls and betalain.
Vinony files it under Chemical articles with multiple compound IDs, Chemical articles with multiple PubChem CIDs and ECHA InfoCard ID from Wikidata.
Vinony links it to 15 Wikipedia language editions.
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