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CHEBI:186390 - 2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid

ChEBI IDCHEBI:186390
ChEBI Name2-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H64O7S
Net Charge0
Average Mass628.957
Monoisotopic Mass628.43728
SMILESCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](C)CCCCC/C(C)=C\C(=O)OCCS(=O)(=O)O
InChIInChI=1S/C35H64O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-34(36)42-33(3)27-24-22-23-26-32(2)31-35(37)41-29-30-43(38,39)40/h9-10,31,33H,4-8,11-30H2,1-3H3,(H,38,39,40)/b10-9-,32-31-/t33-/m1/s1
InChIKeyUVAQPIXHYOHSAY-XOTFYESOSA-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-(9R-(15Z-docosenoyloxy)-3-methyl-2Z-decenoyloxy)-ethanesulfonic acid (CHEBI:186390) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-[(Z,9R)-9-[(Z)-docos-15-enoyl]oxy-3-methyldec-2-enoyl]oxyethanesulonic acid
Manual XrefsDatabases
8436502ChemSpider
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