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adonixanthin

Go to external page http://purl.obolibrary.org/obo/CHEBI_80217

A carotenone that consists of beta,beta-caroten-4-one bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'R diastereomer).

Term info

Label

adonixanthin

Synonyms
  • (3S,3'R)-3,3'-dihydroxy-beta,beta-caroten-4-one
  • adonixanthin
database cross reference
Subsets

3_STAR

IUPAC NAME
(3S,3'R)-3,3'-dihydroxy-beta,beta-caroten-4-one [ IUPAC ]

charge

0

formula

C40H54O3

has obo namespace

chebi_ontology

has related synonym

all-trans-adonixanthin, (3S,3'R)-adonixanthin, (3S,3'R)-4-ketozeaxanthin, 4-Ketozeaxanthin, (3S,3'R)-dihydroxy-4-keto-beta,beta-carotene, doradexanthin, all-trans-beta-doradexanthin

id

CHEBI:80217

inchi

InChI=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/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m1/s1

inchikey

YECXHLPYMXGEBI-ZNQVSPAOSA-N

mass

582.856

monoisotopicmass

582.40730

smiles

C=1(C(C[C@@H](C(C1C)=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@@H](CC2C)O)(C)C)\C)\C)/C)/C