C00989

Entry

C00989                      Compound

Name

4-Hydroxybutanoic acid;
4-Hydroxybutanoate;
4-Hydroxybutyric acid

Formula

C4H8O3

Exact mass

104.0473

Mol weight

104.1045

Structure

Remark

ATC code:

N01AX11 N07XX04

Drug group:

DG00798

Comment

4-Hydroxyacid (generic) [CPD:C01991]

Reaction

R01644 R05336 R09279 R09281 R10758

Pathway

map00650

Butanoate metabolism

map00720

Carbon fixation pathways in prokaryotes

map01100

Metabolic pathways

map01120

Microbial metabolism in diverse environments

map01200

Carbon metabolism

Module

M00374

Dicarboxylate-hydroxybutyrate cycle

M00375

Hydroxypropionate-hydroxybutylate cycle

Enzyme

1.1.1.61 1.1.1.- 2.8.3.- 6.2.1.40
6.2.1.56

Brite

Compounds with biological roles [BR:br08001]
Organic acids
  Carboxylic acids
   Hydroxycarboxylic acids
    C00989  4-Hydroxybutanoate
Lipids [BR:br08002]
FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0105 Hydroxy fatty acids
    C00989  4-Hydroxybutanoic acid
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01A ANESTHETICS, GENERAL
    N01AX Other general anesthetics
     N01AX11 Hydroxybutyric acid
      C00989  4-Hydroxybutanoic acid
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07X OTHER NERVOUS SYSTEM DRUGS
    N07XX Other nervous system drugs
     N07XX04 Hydroxybutyric acid
      C00989  4-Hydroxybutanoic acid
Drug groups [BR:br08330]
Neuropsychiatric agent
  DG02030  Anesthetics
   DG02027  General anesthetics
    DG00798  Hydroxybutyric acid
     C00989  4-Hydroxybutanoic acid

Other DBs

CAS:

591-81-1

PubChem:

4235

ChEBI:

16724 30830

LIPIDMAPS:

LMFA01050006

3DMET:

B00216

NIKKAJI:

J2.691C

KCF data

ATOM        7
            1   C1b C    28.3500  -16.9400
            2   C6a C    29.4700  -16.2400
            3   C1b C    27.0900  -16.3100
            4   O6a O    30.7300  -16.8700
            5   O6a O    29.4700  -14.7700
            6   C1b C    25.9700  -17.0800
            7   O1a O    24.7100  -16.3800
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     6   7 1