FComEx: (S)-3-Hydroxybutyric acid (PC000392)

Record Information

Version

1.0

Creation date

2015-10-09 22:30:25 UTC

Update date

2017-01-19 02:36:22 UTC

FoodComEx ID

PC000392

FoodDB Record

FDB022048

Chemical Information

Name

(S)-3-Hydroxybutyric acid

Description

(S)-3-Hydroxybutyric acid is a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. (PMID 17048218) 3-Hydroxybutyric acid is a ketone body. Like the other ketone bodies (acetoacetate and acetone), levels of 3-Hydroxybutyric acid are raised in ketosis. In humans, 3-Hydroxybutyric acid is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low. [HMDB]

CAS Number

6168-83-8

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(+)-3-Hydroxy-n-butyric acid	hmdb
(+)-3-Hydroxybutyrate	Generator
(+)-3-Hydroxybutyric acid	hmdb
(3S)-3-hydroxy-Butanoate	hmdb
(3S)-3-hydroxy-Butanoic acid	hmdb
(3S)-3-Hydroxybutyrate	Generator
(3S)-3-Hydroxybutyric acid	hmdb
(S)-3-hydroxy-2-methyl-Propanoate	hmdb
(S)-3-hydroxy-2-methyl-Propanoic acid	hmdb
(S)-3-hydroxy-Butanoate	hmdb
(S)-3-hydroxy-Butanoic acid	hmdb
(S)-3-hydroxybutanoate	hmdb
(S)-3-Hydroxybutanoic acid	hmdb
(S)-3-Hydroxybutyrate	hmdb
(S)-3HB	ChEBI
(S)-b-Hydroxybutyrate	Generator
(S)-b-Hydroxybutyric acid	Generator
(S)-b-Hydroxyisobutyrate	hmdb
(S)-b-Hydroxyisobutyric acid	hmdb
(S)-beta-Hydroxybutyrate	Generator
(S)-beta-Hydroxybutyric acid	ChEBI
(S)-beta-Hydroxyisobutyrate	hmdb
(S)-beta-Hydroxyisobutyric acid	hmdb
(S)-β-hydroxybutyrate	Generator
(S)-β-hydroxybutyric acid	Generator
L-(+)-2-methyl-Hydracrylate	hmdb
L-(+)-2-methyl-Hydracrylic acid	hmdb
L-(+)-3-Hydroxybutyrate	Generator
L-(+)-3-Hydroxybutyric acid	hmdb
L-(+)-b-Hydroxyisobutyrate	hmdb
L-(+)-b-Hydroxyisobutyric acid	hmdb
L-(+)-beta-Hydroxyisobutyrate	hmdb
L-(+)-beta-Hydroxyisobutyric acid	hmdb
L-3-Hydroxybutyrate	Generator
L-3-Hydroxybutyric acid	hmdb
L-beta-Hydroxybutyrate	hmdb

Chemical Formula

C4H8O3

IUPAC name

(3S)-3-hydroxybutanoic acid

InChI Identifier

InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1

InChI Key

WHBMMWSBFZVSSR-VKHMYHEASA-N

Isomeric SMILES

C[C@H](O)CC(O)=O

Average Molecular Weight

104.1045

Monoisotopic Molecular Weight

104.047344122

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Sub Class

Beta hydroxy acids and derivatives

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents