lutein

http://purl.obolibrary.org/obo/CHEBI_28838

Synonyms: (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol, Lutein, lutein

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Term history

Term info

database cross reference

Beilstein:2068550 (Beilstein)
CAS:127-40-2 (KEGG COMPOUND)
KEGG:C08601
CAS:127-40-2 (ChemIDplus)
PMID:24451312 (Europe PMC)
KNApSAcK:C00003776
HMDB:HMDB0003233
Reaxys:2068550 (Reaxys)
PMID:23543147 (Europe PMC)
PMID:10714278 (Europe PMC)
DrugBank:DB00137
Wikipedia:Lutein
PDBeChem:LUT
PMID:14670087 (Europe PMC)
LIPID_MAPS_instance:LMPR01070274 (LIPID MAPS)
Drug_Central:4145 (DrugCentral)
MetaCyc:CPD1F-119

Subsets

3_STAR

charge

formula

C40H56O2

has related synonym

(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, Bo-Xan, Xanthophyll, E 161b

has alternative id

CHEBI:27324, CHEBI:6576, CHEBI:43817

has obo namespace

chebi_ontology

CHEBI:28838

inchi

InChI=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/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1

inchikey

KBPHJBAIARWVSC-RGZFRNHPSA-N

mass

568.87144

monoisotopicmass

568.42803

smiles

CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C