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CHEBI:168163 - Mycinonic acid I

Default Structure
ChEBI IDCHEBI:168163
ChEBI NameMycinonic acid I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14O3
Net Charge0
Average Mass158.197
Monoisotopic Mass158.09429
SMILESCC[C@@H](O)[C@@H](C)/C=C/C(=O)O
InChIInChI=1S/C8H14O3/c1-3-7(9)6(2)4-5-8(10)11/h4-7,9H,3H2,1-2H3,(H,10,11)/b5-4+/t6-,7+/m0/s1
InChIKeySUTQROWYWGRRPW-LYNIJRAASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mycinonic acid I (CHEBI:168163) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(E,4S,5R)-5-hydroxy-4-methylhept-2-enoic acid
Manual XrefsDatabases
61863373ChemSpider
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