Skip to content
chlorophyll a

Structure via PubChem · Public domain (PubChem)

EntityQ133878· pop 16· linked from 295 articles

chlorophyll a

Sign in to save

chemical compound

Chemical data

Formula
C55H72MgN4O5
Molecular weight
893.5 g/mol
IUPAC name
magnesium (3R,21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate
SMILES
CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
InChIKey
ATNHDLDRLWWWCB-AENOIHSZSA-M
Polar surface area
114 Ų
H-bond donors
0
H-bond acceptors
9
Formal charge
0

via PubChem

Wikidata facts

Subclass of
chlorophyll
Has part
oxygen
Mass
893.54258955609
Show 7 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.[Mg+2]
chemical formula
C₅₅H₇₂MgN₄O₅
density
1.079
melting point
152.3
Commons category
Chlorophyll a
subject has role
primary metabolite
isomeric SMILES
C=Cc1c(C)c2cc3nc(c4c5nc(cc6[n-]c(cc1[nH]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C.[Mg+2]
Sources (3)

via Wikidata · CC0