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CHEBI:202079 - Sch 31828

ChEBI IDCHEBI:202079
ChEBI NameSch 31828
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SubmitterMetaboLights
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FormulaC17H18O6
Net Charge0
Average Mass318.325
Monoisotopic Mass318.11034
SMILESC#CC#CC#CC(O)C1OC(=O)OC1CCCCCCC(=O)O
InChIInChI=1S/C17H18O6/c1-2-3-4-7-10-13(18)16-14(22-17(21)23-16)11-8-5-6-9-12-15(19)20/h1,13-14,16,18H,5-6,8-9,11-12H2,(H,19,20)
InChIKeyYKIOQZBNOCGEOJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microbisporaspecies (ncbitaxon:1898321) - PubMed (3403373)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sch 31828 (CHEBI:202079) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
7-[5-(1-hydroxyhepta-2,4,6-triynyl)-2-oxo-1,3-dioxolan-4-yl]heptanoic acid
Manual XrefsDatabases
8239997ChemSpider