CHEBI:38256 - pheophytin b

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pheophytin b
ChEBI ID CHEBI:38256
ChEBI ASCII Name pheophytin b
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0174846, eMolecules:480363, ZINC000000087959
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Formula C55H72N4O6
Net Charge 0
Average Mass 885.18354
Monoisotopic Mass 884.54519
InChI InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,59H,1,13-24,26H2,2-11H3/b34-25+,42-27-,43-27-,44-28-,45-29-,46-28-,47-29-,52-50-/t32-,33-,36+,40+,51-/m1/s1
InChIKey ZQGOYEJYAYJFTL-LCEKIETQSA-N
SMILES [H]C(=O)c1c(CC)c2cc3[nH]c4c([C@@H](C(=O)OC)C(=O)c4c3C)c3nc(cc4[nH]c(cc1n2)c(C=C)c4C)[C@@H](C)[C@@H]3CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
ChEBI Ontology
Outgoing pheophytin b (CHEBI:38256) is a pheophytin (CHEBI:8108)
Synonyms Sources
methyl (3S,4S,21R)-14-ethyl-13-formyl-4,8,18-trimethyl-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 b ChEBI
Phäophytin-b ChEBI
pheophytin b JCBN
Registry Numbers Types Sources
3147-18-0 CAS Registry Number ChemIDplus
635740 Gmelin Registry Number Gmelin
77985 Beilstein Registry Number Beilstein
8032186 Beilstein Registry Number Beilstein
Last Modified
06 January 2008