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

PropertiesImage
MNX_IDMNXM4475 Image of MNXM4475
referencechebi:40968
formulaC40H52O4
global charge0
mol weight596.852
InChIKeyMQZIGYBFDRPAKN-UWFIBFSHSA-N
InChIInChI=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
SMILESCC1=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
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4475
SMILES (mnx)[CH3:1][C:27](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:28]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:30]([CH3:4])\[CH:22]=[CH:24]\[C:34]1=[C:32]([CH3:6])[C:38](=[O:44])[C@@H:36]([OH:42])[CH2:26][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:29]([CH3:3])/[CH:21]=[CH:23]/[C:33]1=[C:31]([CH3:5])[C:37](=[O:43])[C@@H:35]([OH:41])[CH2:25][C:39]1([CH3:7])[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)17
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:40968
chebi:40968
MQZIGYBFDRPAKN-UWFIBFSHSA-N 		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
MQZIGYBFDRPAKN-UWFIBFSHSA-N 		(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
MQZIGYBFDRPAKN-UWFIBFSHSA-N 		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
MQZIGYBFDRPAKN-UWFIBFSHSA-N 		Astaxanthin

lipidmaps:LMPR01070263
lipidmapsM:LMPR01070263
MQZIGYBFDRPAKN-UWFIBFSHSA-N 		Astaxanthin
(3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione

kegg.compound:C08580
keggC:C08580
MQZIGYBFDRPAKN-UWFIBFSHSA-N 		Astaxanthin
(3S,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione
(3S,3'S)-Astaxanthin
hmdb:HMDB0002204
MQZIGYBFDRPAKN-UWFIBFSHSA-N 		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