loading...| Preferred Name |
lutein |
| Synonyms |
Xanthophyll Bo-Xan E 161b (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL Lutein lutein |
| ID |
http://purl.obolibrary.org/obo/CHEBI_28838 |
| charge |
0 |
| database_cross_reference |
Drug_Central:4145 Reaxys:2068550 PMID:23543147 LIPID_MAPS_instance:LMPR01070274 PMID:24451312 DrugBank:DB00137 Beilstein:2068550 CAS:127-40-2 Wikipedia:Lutein KEGG:C08601 MetaCyc:CPD1F-119 HMDB:HMDB0003233 PMID:10714278 PMID:14670087 KNApSAcK:C00003776 PDBeChem:LUT |
| formula |
C40H56O2 |
| has_alternative_id |
CHEBI:27324 CHEBI:43817 CHEBI:6576 |
| has_exact_synonym |
(3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol Lutein lutein |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
Xanthophyll Bo-Xan E 161b (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL |
| id |
CHEBI:28838 |
| in_subset | |
| 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 |
| label |
lutein |
| mass |
568.87144 |
| monoisotopicmass |
568.428 |
| notation |
CHEBI:28838 |
| prefLabel |
lutein |
| 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 |
| subClassOf |