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CHEBI:38256 - pheophytin b

ChEBI IDCHEBI:38256
ChEBI Namepheophytin b
Stars
ASCII Namepheophytin b
Last Modified6 January 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC55H72N4O6
Net Charge0
Average Mass885.203
Monoisotopic Mass884.54519
SMILES[H]C(=O)C1=C(CC)c2cc3nc4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4nc(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
InChIInChI=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
InChIKeyZQGOYEJYAYJFTL-LCEKIETQSA-N
ChEBI Ontology
Outgoing Relation(s)
pheophytin b (CHEBI:38256) is a pheophytin (CHEBI:8108)
Synonyms  Source
pheophytin bJCBN
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-carboxylateIUPAC
Phaeophytin bChEBI
Phäophytin-bChEBI
Registry NumbersSources
Gmelin:635740Gmelin
Beilstein:77985Beilstein
Beilstein:8032186Beilstein
CAS:3147-18-0ChemIDplus