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CHEBI:6357 - lactucaxanthin

ChEBI IDCHEBI:6357
ChEBI Namelactucaxanthin
Stars
DefinitionA tunaxanthin that consists of ε,ε-carotene bearing hydroxy substituents at positions 3 and 3' (the 3S,3'S,6S,6'S-diastereomer).
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H56O2
Net Charge0
Average Mass568.886
Monoisotopic Mass568.42803
SMILESCC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C
InChIInChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m0/s1
InChIKeyBIPAHAFBQLWRMC-SUOWZELTSA-N
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
lactucaxanthin (CHEBI:6357) is a tunaxanthin (CHEBI:35326)
IUPAC Name 
(3S,3'S,6S,6'S)-ε,ε-carotene-3,3'-diol
Synonym  Source
LactucaxanthinKEGG COMPOUND
Manual XrefsDatabases
C08599KEGG COMPOUND
LMPR01070273LIPID MAPS
C00003775KNApSAcK
Registry NumbersSources
Reaxys:5671075Reaxys
CAS:78306-12-4KEGG COMPOUND
Citations