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CHEBI:186793 - Fritschiellaxanthin/ (3S,3'R,6'R)-4-Ketolutein

ChEBI IDCHEBI:186793
ChEBI NameFritschiellaxanthin/ (3S,3'R,6'R)-4-Ketolutein
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O3
Net Charge0
Average Mass582.869
Monoisotopic Mass582.40730
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/C1=C(C)C(=O)[C@@H](O)CC1(C)C
InChIInChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35-,37-/m0/s1
InChIKeyJKMGDISLOMKFOX-HZYGIUPKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Fritschiellaxanthin/ (3S,3'R,6'R)-4-Ketolutein (CHEBI:186793) is a xanthophyll (CHEBI:27325)
IUPAC Name 
(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
LMPR01070027LIPID MAPS
17220872ChemSpider