CHEBI:180000 - alpha,alpha-dimethyl valeric acid

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ChEBI Name alpha,alpha-dimethyl valeric acid
ChEBI ID CHEBI:180000
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H14O2
Net Charge 0
Average Mass 130.187
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKey ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
SMILES OC(=O)C(CCC)(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing alpha,alpha-dimethyl valeric acid (CHEBI:180000) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
2,2-dimethylpentanoic acid
Manual Xrefs Databases
13802 ChemSpider
LMFA01020085 LIPID MAPS
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Registry Number Type Source
1185-39-3 CAS Registry Number ChemIDplus