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CHEBI:210463 - Sphaeric acid

ChEBI IDCHEBI:210463
ChEBI NameSphaeric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O4
Net Charge0
Average Mass244.331
Monoisotopic Mass244.16746
SMILESCCCCCCCC[C@H](C(=O)O)[C@H](C)C(=O)O
InChIInChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-11(13(16)17)10(2)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)(H,16,17)/t10-,11-/m0/s1
InChIKeyCFXMOECYUQUKMY-QWRGUYRKSA-N
Species of MetaboliteComponentSourceComments
Sphaeropsis (ncbitaxon:66737) - PubMed (10075787)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sphaeric acid (CHEBI:210463) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2S,3S)-2-methyl-3-octylbutanedioic acid
Manual XrefsDatabases
8928148ChemSpider