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CHEBI:180757 - Tangeraxanthin

Default Structure
ChEBI IDCHEBI:180757
ChEBI NameTangeraxanthin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H44O2
Net Charge0
Average Mass484.724
Monoisotopic Mass484.33413
SMILESCC(=O)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C\C(C)=C\C=C\C(C)=C/C=C1\C(C)=CC(O)CC1(C)C
InChIInChI=1S/C34H44O2/c1-26(16-11-18-28(3)20-13-21-31(6)35)14-9-10-15-27(2)17-12-19-29(4)22-23-33-30(5)24-32(36)25-34(33,7)8/h9-24,32,36H,25H2,1-8H3/b14-9-,15-10+,18-11+,19-12+,21-13+,26-16+,27-17+,28-20+,29-22-,33-23+
InChIKeyKQBKJSVYIBRYNQ-KKMFPEKASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
Tangeraxanthin (CHEBI:180757) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3E,5E,7E,9E,11Z,13E,15E,17E,19Z,21Z)-21-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene)-6,10,15,19-tetramethylhenicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one
Manual XrefsDatabases
35014716ChemSpider
HMDB0039015HMDB