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CHEBI:183996 - [(2r,3r,4s,5s,6r)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2s,3r)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate

Default Structure
ChEBI IDCHEBI:183996
ChEBI Name[(2r,3r,4s,5s,6r)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2s,3r)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H60O13
Net Charge0
Average Mass676.841
Monoisotopic Mass676.40339
SMILESCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)CCCCC)[C@H](OC[C@H](O)[C@H](O)CO)O[C@H](COC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C34H60O13/c1-5-7-9-10-11-12-13-14-15-16-18-20-29(40)46-32-31(44-25(4)37)28(23-42-24(3)36)45-34(43-22-27(39)26(38)21-35)33(32)47-30(41)19-17-8-6-2/h26-28,31-35,38-39H,5-23H2,1-4H3/t26-,27+,28-,31-,32+,33+,34-/m1/s1
InChIKeyQGQSOVLOEOVNRW-KSHKLCIXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
[(2r,3r,4s,5s,6r)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2s,3r)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate (CHEBI:183996) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] tetradecanoate
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