loading...| Preferred Name |
astaxanthin |
|
| Synonyms |
Astaxanthin (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione ASTAXANTHIN astaxanthine 3,3'-dihydroxy-beta-carotene-4,4'-dione (3S,3'S)-astaxanthin 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione all-trans-(3S,3'S)-astaxanthin E 161j ovoester |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_40968 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22309505 PMID:22349894 PMID:22188802 COMe:MOL000055 PMID:22189778 PMID:22406426 Reaxys:1917937 PMID:22221991 PMID:22279065 Wikipedia:Astaxanthin PMID:22119431 KNApSAcK:C00000918 PMID:22432539 PMID:22455145 HMDB:HMDB0002204 PMID:21833799 PMID:21883294 LIPID_MAPS_instance:LMPR01070263 PMID:22267192 PDBeChem:AXT CAS:472-61-7 KEGG:C08580 PMID:22428137 Beilstein:1917937 |
|
| formula |
C40H52O4 |
|
| has parent hydride | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_50249 http://purl.obolibrary.org/obo/CHEBI_75767 http://purl.obolibrary.org/obo/CHEBI_76924 |
|
| has_alternative_id |
CHEBI:40963 CHEBI:2895 |
|
| has_exact_synonym |
Astaxanthin (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione ASTAXANTHIN |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
astaxanthine 3,3'-dihydroxy-beta-carotene-4,4'-dione (3S,3'S)-astaxanthin 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione all-trans-(3S,3'S)-astaxanthin E 161j ovoester |
|
| has_RxCUI |
18451 |
|
| id |
CHEBI:40968 |
|
| in_subset | ||
| 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 |
|
| label |
astaxanthin |
|
| mass |
596.83848 |
|
| monoisotopicmass |
596.38656 |
|
| notation |
CHEBI:40968 |
|
| prefixIRI |
CHEBI:40968 |
|
| prefLabel |
astaxanthin |
|
| 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 |
|
| textual definition |
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. |
|
| subClassOf |