FComEx: 2-Hydroxycaproic acid (PC000351)

Record Information

Version

1.0

Creation date

2015-10-09 22:30:07 UTC

Update date

2017-01-19 02:36:20 UTC

FoodComEx ID

PC000351

FoodDB Record

FDB022697

Chemical Information

Name

2-Hydroxycaproic acid

Description

2-Hydroxycaproic acid is a branched-chain alpha-keto acid that have been reported in normal human blood (PMID: 7130306) and in normal amniotic fluid. (PMID: 7076774) It has been found that 2-Hydroxycaproic acid is the most significant metabolite found in the CSF of patients infected with Nocardia. Nocardia species is an uncommon cause of meningitis, and Nocardia meningitis has a clinical picture similar to that of tuberculous meningitis (PMID: 3818936) [HMDB]

CAS Number

6064-63-7

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
2-Hydroxycaproate	hmdb
2-Hydroxycaproic acid	hmdb
2-Hydroxyhexanoate	hmdb
2-Hydroxyhexanoic acid	hmdb
DL-2-Hydroxycaproate	hmdb
DL-2-Hydroxycaproic acid	hmdb
DL-2-Hydroxyhexanoate	hmdb
DL-2-Hydroxyhexanoic acid	hmdb
dl-2-Hydroxyhexanoic acidHydroxyhexanoate	hmdb
dl-2-Hydroxyhexanoic acidHydroxyhexanoic acid	hmdb
DL-Hydroxycaproate	hmdb
DL-Hydroxycaproic acid	hmdb
Hydroxy-n-caproate	hmdb
Hydroxy-n-caproic acid	hmdb
Hydroxycaproate	hmdb
Hydroxycaproic acid	hmdb
Hydroxyhexanoate	hmdb
Hydroxyhexanoic acid	hmdb

Chemical Formula

C6H12O3

IUPAC name

2-hydroxyhexanoic acid

InChI Identifier

InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)

InChI Key

NYHNVHGFPZAZGA-UHFFFAOYSA-N

Isomeric SMILES

CCCCC(O)C(O)=O

Average Molecular Weight

132.1577

Monoisotopic Molecular Weight

132.07864425

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents