CHEBI:179894 - 7:0(6Me,6Me)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7:0(6Me,6Me)
ChEBI ID CHEBI:179894
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H18O2
Net Charge 0
Average Mass 158.241
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
InChIKey AAOISIQFPPAFQO-UHFFFAOYSA-N
SMILES OC(=O)CCCCC(C)(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 7:0(6Me,6Me) (CHEBI:179894) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
6,6-dimethylheptanoic acid
Manual Xrefs Databases
4956147 ChemSpider
LMFA01020345 LIPID MAPS
View more database links
Registry Number Type Source
59354-78-8 CAS Registry Number ChemIDplus