chlorophyll a

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 96
Total Number of Articles : 112
PubChem 135398712
Molecular Formula

C55H74N4O5

SMILES

CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(=O)OC)O)C)C

InChI

InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,58,61H,1,14-25,27H2,2-12H3/b34-26+,44-28?,46-29?,47-30?,52-50?/t32-,33-,37+,41+,51-/m1/s1

synonyms
  • Pheophytin a
  • 603-17-8
  • PLU1CG1U91
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Properties
Property Value
MW 871.2 g/mol
HBD 2
HBA 9
Rotatable Bond Count 22
Exact Mass 870.56592147 g/mol
Monoisotopic Mass 870.56592147 g/mol
Heavy Atom Count 64
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 2300
xlogp 11.7
Topological Polar Surface Area 122