EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3375 - capsanthin

ChEBI IDCHEBI:3375
ChEBI Namecapsanthin
Stars
Last Modified13 April 2015
DownloadsMolfile
FormulaC40H56O3
Net Charge0
Average Mass584.885
Monoisotopic Mass584.42295
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChIInChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
InChIKeyVYIRVAXUEZSDNC-RDJLEWNRSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
capsanthin (CHEBI:3375) has role plant metabolite (CHEBI:76924)
capsanthin (CHEBI:3375) is a carotenone (CHEBI:35310)
Incoming Relation(s)
capsanthin 5,6-epoxide (CHEBI:91165) has functional parent capsanthin (CHEBI:3375)
IUPAC Name 
(3R,3'S,5'R)-3,3'-dihydroxy-β,κ-caroten-6'-one
Synonym  Source
CapsanthinKEGG COMPOUND
UniProt Name  Source
all-trans-capsanthinUniProt
Manual XrefsDatabases
C08584KEGG COMPOUND
LMPR01070265LIPID MAPS
CAPSANTHINMetaCyc
HMDB0036590HMDB
C00003763KNApSAcK
Registry NumbersSources
Reaxys:2493991Reaxys
CAS:465-42-9KEGG COMPOUND
CAS:465-42-9ChemIDplus
Citations