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CHEBI:3136 - bixin

ChEBI IDCHEBI:3136
ChEBI Namebixin
Stars
DefinitionA carotenoic acid that is the 6'-monomethyl ester of 9'-cis-6,6'-diapocarotene-6,6'-dioic acid.
Last Modified31 March 2020
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FormulaC25H30O4
Net Charge0
Average Mass394.511
Monoisotopic Mass394.21441
SMILESCOC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)O
InChIInChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-
InChIKeyRAFGELQLHMBRHD-SLEZCNMESA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
Synonyms  Source
BixinKEGG COMPOUND
Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioateKEGG COMPOUND
6'-methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioateIUBMB
6'-methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioateChEBI
Manual XrefsDatabases
C08582KEGG COMPOUND
BixinWikipedia
WO2010149942Patent
C00003762KNApSAcK
Registry NumbersSources
Reaxys:1729919Reaxys
CAS:6983-79-5KEGG COMPOUND
CAS:6983-79-5ChemIDplus
Citations