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all-trans-(3S,3'S)-astaxanthin

Properties

Image

Occurences in reactions

MNX_ID

MNXM4475

	#reac
in my sandbox	0
in MNXref (generic)	17
in models (compartimentalized)	2

formula

C₄₀H₅₂O₄

charge

mass

596.38656

reference

chebi:40968

InChIKey

MQZIGYBFDRPAKN-UWFIBFSHSA-N

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

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:40968 chebi:40968	all-trans-(3S,3'S)-astaxanthin (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione (3S,3'S)-astaxanthin 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione 3,3'-dihydroxy-beta-carotene-4,4'-dione ASTAXANTHIN Astaxanthin E 161j astaxanthin astaxanthine ovoester
metacyc.compound:CPD-7847 metacycM:CPD-7847	(3S,3'S)-astaxanthin 3,3'-dihydroxy-4,4'-diketo-beta,beta-carotene 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione
seed.compound:cpd24923 seedM:cpd24923	3,3'-dihydroxy-4,4'-diketo-beta,beta-carotene (3S,3'S)-astaxanthin 3,3'-dihydroxy-beta,beta-carotene-4,4'-dione 3S,3'S-astaxanthin
seed.compound:cpd05487 seedM:cpd05487 lipidmaps:LMPR01070263 lipidmapsM:LMPR01070263	Astaxanthin
kegg.compound:C08580 keggC:C08580	Astaxanthin (3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione (3S,3'S)-Astaxanthin
hmdb:HMDB0002204	Astaxanthin (3S,3'S)-3,3'-dihydroxy-beta,beta-carotene-4,4'-dione (3S,3'S)-all-trans-astaxanthin (3S,3'S)-astaxanthin (3S,3's)-3,3'-Dihydroxy-b,b-carotene-4,4'-dione (3S,3's)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione (3S,3's)-Astaxanthin (3S,3's)-all-trans-Astaxanthin (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one (S,S)-Astaxanthin 3,3'-Dihydroxy-b,b-carotene-4,4'-dione 3,3'-Dihydroxy-b-carotene-4,4'-dione 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione 3,3'-Dihydroxy-beta-carotene-4,4'-dione AstaREAL Astaxanthin (6ci) Astaxanthine BioAstin BioAstin oleoresin Carophyll pink Lucantin pink Natupink Ovoester all-trans-(3S,3'S)-astaxanthin all-trans-(3S,3's)-Astaxanthin all-trans-3,3'-Dihydroxy-b-carotene-4,4'-dione (8ci) all-trans-3,3'-Dihydroxy-beta-carotene-4,4'-dione (8ci) all-trans-Astaxanthin astaxanthin e 161J e-Astaxanthin trans-Astaxanthin
hmdb:HMDB0039128 hmdb:HMDB02204 hmdb:HMDB39128 chebi:2895 chebi:40963 keggC:M_C08580 seedM:M_cpd05487 seedM:M_cpd24923	secondary/obsolete/fantasy identifier