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CHEBI:185855 - 14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid

ChEBI IDCHEBI:185855
ChEBI Name14-O-(alpha-D-mannopyranosyl)-7S,14S-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](OC1O[C@H](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-/m0/s1
InChIKeyHTGFZKQPJXUSTN-LHNCRWNYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
14-O-(alpha-D-mannopyranosyl)-7S,14S-dihydroxy-7,9,13,17-tetramethyl-2E,4E,8E,10E,12E,16E-octadecahexaenoic acid (CHEBI:185855) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(2E,4E,7S,8E,10E,12E,14S)-7-hydroxy-7,9,13,17-tetramethyl-14-[(4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-2,4,8,10,12,16-hexaenoic acid
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