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CHEBI:187484 - 2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid

ChEBI IDCHEBI:187484
ChEBI Name2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H46O13
Net Charge0
Average Mass554.630
Monoisotopic Mass554.29384
SMILESCCCCCCCCCCC[C@H](O[C@@H]1OC(CO[C@@H]2OC(CO)[C@H](O)[C@H](O)C2O)[C@H](O)[C@H](O)C1O)C(=O)O
InChIInChI=1S/C25H46O13/c1-2-3-4-5-6-7-8-9-10-11-14(23(33)34)36-25-22(32)20(30)18(28)16(38-25)13-35-24-21(31)19(29)17(27)15(12-26)37-24/h14-22,24-32H,2-13H2,1H3,(H,33,34)/t14-,15?,16?,17-,18-,19-,20-,21?,22?,24+,25+/m0/s1
InChIKeyMBOSFCFYOLTTNJ-QHEQQTTKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxytridecanoic acid (CHEBI:187484) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S)-2-[(2S,4S,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxytridecanoic acid
Manual XrefsDatabases
LMFA13010048LIPID MAPS