KEGG   COMPOUND: 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
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
LipidBank: DFA0272
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

» Japanese version

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Pathway (7)   
   KEGG PATHWAY (5)   
   KEGG MODULE (2)   
Chemical substance (10)   
   PubChem (1)   
   ChEBI (2)   
   3DMET (1)   
   HMDB (2)   
   HSDB (1)   
   LipidBank (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (8)   
   KEGG ENZYME (3)   
   KEGG REACTION (5)   
Gene (1384)   
   KEGG GENES (1384)   
All databases (1409)   

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