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CHEBI:187039 - 25-O-(2''-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-25-hydroxy-11E-eicosenoic acid

ChEBI IDCHEBI:187039
ChEBI Name25-O-(2''-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-25-hydroxy-11E-eicosenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H58O13
Net Charge0
Average Mass650.803
Monoisotopic Mass650.38774
SMILESCC(CCCCCC/C=C/CCCCCCCCCC(=O)O)O[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C32H58O13/c1-21(17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-24(35)36)42-32-30(28(40)26(38)23(20-34)44-32)45-31-29(41)27(39)25(37)22(19-33)43-31/h3,5,21-23,25-34,37-41H,2,4,6-20H2,1H3,(H,35,36)/b5-3+/t21?,22?,23?,25-,26-,27?,28?,29+,30+,31+,32-/m1/s1
InChIKeyZGTLVQXUJGZUAO-FYSTUILYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
25-O-(2''-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-25-hydroxy-11E-eicosenoic acid (CHEBI:187039) is a sophorolipid (CHEBI:51075)
IUPAC Name 
(E)-19-[(2R,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyicos-11-enoic acid
Manual XrefsDatabases
LMFA13020001LIPID MAPS
24822141ChemSpider