Search MNXref
 Feedback

fucoxanthin

MNXM1104595 is deprecated and here replaced by MNXM1363987
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363987 Image of MNXM1363987
referencechebi:5186
formulaC42H58O6
global charge0
mol weight658.92
InChIKeySJWWTRQNNRNTPU-ABBNZJFMSA-N
InChIInChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41+,42-/m0/s1
SMILESCC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1
MNX internals
InChI (mnx)InChI=1/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,40+,41+,42-/m0/s1 Image of MNXM1363987
SMILES (mnx)[CH3:1][C:29](=[CH:16]\[CH:12]=[CH:13]\[CH:17]=[C:30]([CH3:2])\[CH:20]=[CH:15]\[CH:21]=[C:32](/[CH3:4])[C:36]([CH2:28][C@:42]12[C:39]([CH3:8])([CH3:9])[CH2:24][C@H:34]([OH:44])[CH2:25][C@@:41]1([CH3:11])[O:48]2)=[O:45])/[CH:18]=[CH:14]/[CH:19]=[C:31](\[CH3:3])[CH:22]=[C:23]=[C:37]1[C:38]([CH3:6])([CH3:7])[CH2:26][C@H:35]([O:47][C:33]([CH3:5])=[O:43])[CH2:27][C@@:40]1([CH3:10])[OH:46]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:5186
chebi:5186
lipidmaps:LMPR01070300
lipidmapsM:LMPR01070300
SJWWTRQNNRNTPU-ABBNZJFMSA-N 		fucoxanthin
(3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
(3S,3'S,5R,5'R,6S,6'R)-3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-beta,beta-carotene
(3S,5R,6S,3'S,5'R,6'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,6-epoxy-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-3'-yl acetate
Fucoxanthin

seed.compound:cpd32787
seedM:cpd32787
SJWWTRQNNRNTPU-ABBNZJFMSA-N 		(3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one
fucoxanthin

seed.compound:cpd05503
seedM:cpd05503
kegg.compound:C08596
keggC:C08596
SJWWTRQNNRNTPU-ABBNZJFMSA-N 		Fucoxanthin

metacyc.compound:CPD-20679
metacycM:CPD-20679
SJWWTRQNNRNTPU-ABBNZJFMSA-N 		fucoxanthin
(3'S,5'R,6'R)-3'-acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,7,8,5',6'-hexahydro-beta,beta-caroten-8-one

chebi:67925
keggC:M_C08596
seedM:M_cpd05503
seedM:M_cpd32787 		secondary/obsolete/fantasy identifier