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CHEBI:186208 - SQMG(0:0/16:1(13Z))

ChEBI IDCHEBI:186208
ChEBI NameSQMG(0:0/16:1(13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H46O11S
Net Charge0
Average Mass554.699
Monoisotopic Mass554.27608
SMILESCC/C=C\CCCCCCCCCCCC(=O)O[C@H](CO)CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)C(O)C1O
InChIInChI=1S/C25H46O11S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)35-19(16-26)17-34-25-24(30)23(29)22(28)20(36-25)18-37(31,32)33/h3-4,19-20,22-26,28-30H,2,5-18H2,1H3,(H,31,32,33)/b4-3-/t19-,20-,22-,23?,24?,25+/m1/s1
InChIKeyWNGZXRFFGFFGPU-DHBOFLPISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
SQMG(0:0/16:1(13Z)) (CHEBI:186208) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
[(2S,3S,6S)-6-[(2R)-2-[(Z)-hexadec-13-enoyl]oxy-3-hydroxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulonic acid
Manual XrefsDatabases
24882002ChemSpider
LMGL04010007LIPID MAPS