EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183617 - 14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid

ChEBI IDCHEBI:183617
ChEBI Name14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O9
Net Charge0
Average Mass522.635
Monoisotopic Mass522.28288
SMILESCC(C)=CC[C@@H](O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)/C(C)=C/C=C/C(C)=C/[C@@](C)(O)C/C=C/C=C/C(=O)O
InChIInChI=1S/C28H42O9/c1-18(2)13-14-21(36-27-26(34)25(33)24(32)22(17-29)37-27)20(4)11-9-10-19(3)16-28(5,35)15-8-6-7-12-23(30)31/h6-13,16,21-22,24-27,29,32-35H,14-15,17H2,1-5H3,(H,30,31)/b8-6+,10-9+,12-7+,19-16+,20-11+/t21-,22?,24-,25+,26?,27-,28+/m1/s1
InChIKeyHTGFZKQPJXUSTN-ZFMCCMEUSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315)
fruit body (BTO:0000487) MetaboLights (MTBLS3577)
primordium (BTO:0001886) MetaboLights (MTBLS3577)
ChEBI Ontology
Outgoing Relation(s)
14-O-(beta-D-glucopyranosyl)-7S,14R-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid (CHEBI:183617) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(2E,4E,7S,8E,10E,12E,14R)-7-hydroxy-7,9,13,17-tetramethyl-14-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-2,4,8,10,12,16-hexaenoic acid
Manual XrefsDatabases
LMFA13010034LIPID MAPS