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CHEBI:185107 - 2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid

ChEBI IDCHEBI:185107
ChEBI Name2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O7
Net Charge0
Average Mass332.393
Monoisotopic Mass332.18350
SMILESC=CC(C)(CCCC(C)C(=O)O)O[C@@H]1OC(C)[C@@H](O)C(O)C1O
WURCSWURCS=2.0/1,1,0/[axx2xm-1u_1-5_1*OC^XCCCC^XCO/8=O/7C/3C=C/3C]/1/
InChIInChI=1S/C16H28O7/c1-5-16(4,8-6-7-9(2)14(20)21)23-15-13(19)12(18)11(17)10(3)22-15/h5,9-13,15,17-19H,1,6-8H2,2-4H3,(H,20,21)/t9?,10?,11-,12?,13?,15+,16?/m1/s1
InChIKeyRMLMMXWVQHEIFK-KIGAJESOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2,6-Dimethyl-6-O-beta-D-quinovopyranosyl-7-octadecenoic acid (CHEBI:185107) is a L-α-D-Hepp-(1→7)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:78618)
IUPAC Name 
2,6-dimethyl-6-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoct-7-enoic acid
Manual XrefsDatabases
LMFA13010036LIPID MAPS