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CHEBI:169023 - 5-Hydroxysebacate

Default Structure
ChEBI IDCHEBI:169023
ChEBI Name5-Hydroxysebacate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H18O5
Net Charge0
Average Mass218.249
Monoisotopic Mass218.11542
SMILESO=C(O)CCCCC(O)CCCC(=O)O
InChIInChI=1S/C10H18O5/c11-8(5-3-7-10(14)15)4-1-2-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
InChIKeyQDRVFLVAMSWLBA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
5-Hydroxysebacate (CHEBI:169023) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
5-hydroxydecanedioic acid
Manual XrefsDatabases
74849515ChemSpider
HMDB0029189HMDB