Terminology Service for NFDI4Health
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astaxanthin

Go to external page http://purl.obolibrary.org/obo/CHEBI_40968

A carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in animals (crustaceans, echinoderms) but also occurring in plants. It can occur free (as a red pigment), as an ester, or as a blue, brown or green chromoprotein.

Term info

Label

astaxanthin

Synonyms
  • (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione
  • ASTAXANTHIN
  • Astaxanthin
database cross reference
Subsets

3_STAR

IUPAC NAME
(3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione [ IUPAC ]

charge

0

formula

C40H52O4

has alternative id

CHEBI:40963, CHEBI:2895

has obo namespace

chebi_ontology

has related synonym

E 161j, (3S,3'S)-astaxanthin, 3,3'-dihydroxy-beta-carotene-4,4'-dione, astaxanthine, 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione, ovoester, all-trans-(3S,3'S)-astaxanthin

id

CHEBI:40968

inchi

InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1

inchikey

MQZIGYBFDRPAKN-UWFIBFSHSA-N

mass

596.83848

monoisotopicmass

596.38656

smiles

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