CHEBI:44898 - pheophytin a

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pheophytin a
ChEBI ID CHEBI:44898
ChEBI ASCII Name pheophytin a
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:38255, CHEBI:44895
Supplier Information
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Formula C55H74N4O5
Net Charge 0
Average Mass 871.20002
Monoisotopic Mass 870.566
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/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1
InChIKey CQIKWXUXPNUNDV-RCBXBCQGSA-N
SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c4[C@@H](C(=O)OC)C(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C
ChEBI Ontology
Outgoing pheophytin a (CHEBI:44898) is a pheophytin (CHEBI:8108)
pheophytin a (CHEBI:44898) is conjugate acid of pheophytin a(1−) (CHEBI:136840)
Incoming pheophytin a(1−) (CHEBI:136840) is conjugate base of pheophytin a (CHEBI:44898)
Synonyms Sources
methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9-vinylphorbine-21-carboxylate IUPAC
phaeophytin a COMe
Phäophytin-a ChEBI
PHEOPHYTIN A PDBeChem
pheophytin a JCBN
Manual Xrefs Databases
C05797 KEGG COMPOUND
MOL000163 COMe
PHO PDBeChem
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Registry Numbers Types Sources
1208782 Beilstein Registry Number Beilstein
414770 Gmelin Registry Number Gmelin
603-17-8 CAS Registry Number ChemIDplus
665838 Gmelin Registry Number Gmelin
6889741 Beilstein Registry Number Beilstein
79531 Beilstein Registry Number Beilstein
Last Modified
05 July 2017