Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 6th, 2004 |
7 |
Yes
|
Other Names:
2-HydroxyethylAcetate
4-Hydroxy-Butanoate;4-Hydroxy-Butanoic acid;4-Hydroxy-butyric acid;4-Hydroxybutanoate;4-Hydroxybutanoic acid;4-Hydroxybutyrate;4-Hydroxybutyrate sodium;4-Hydroxybutyric acid;4-Hydroxybutyric acid monosodium salt;gamma-Hydroxy butyrate;gamma-Hydroxy sodium
4-Hydroxy-butanoic acid
4-Hydroxy-butanoic acid;4-Hydroxybutanoate;4-Hydroxybutanoic acid;4-Hydroxybutyric acid;gamma-Hydroxybutyric acid;GHB;Juice;Liquid Ecstasy;Sodium oxybate
4-HYDROXY-BUTYRATE; 4-OH-but; 4-hydroxybutanoate; 4-hydroxybutanoic acid; 4-hydroxybutyrate; 4-hydroxybutyric acid; 591-81-1; gamma-hydroxybutyrate
4-hydroxy-butyric acid
4-Hydroxyacid; 4-Hydroxyalkanoic acid; 4-Hydroxycarboxylic acid; C01991
4-hydroxybutanoate
4-hydroxybutanoate; GHB; gamma-hydroxybutyrate
4-hydroxybutanoic acid
4-Hydroxybutanoic acid monolithium salt; Butanoic acid, 4-hydroxy-, monolithium salt; LS-46329; Lithium gamma-hydroxybutyrate
4-Hydroxybuttersaeure natriumsalz
4-Hydroxybuttersaeure natriumsalz; 4-Hydroxybutyrate Sodium; 4-Hydroxybutyric acid monosodium salt; 4-Hydroxybutyric acid sodium salt; Anetamin; Butanoic acid, 4-hydroxy-, monosodium salt; Butanoic acid, 4-hydroxy-, sodium salt; Butyric acid, 4-hydroxy-,
4-hydroxybutyrate
4-Hydroxybutyrate sodium
4-Hydroxybutyric acid
4-Hydroxybutyric acid monosodium salt
4-Hydroxybutyric acid sodium salt
502-85-2
502-85-2; D05866; Sodium gammahydroxybutyrate; Sodium oxybate (USAN); Xyrem (TN)
Anetamin
ARONIS24196
Butanoic acid, 4-hydroxy-, monosodium salt
Butanoic acid, 4-hydroxy-, sodium salt
Butanoic acid, 4-hydroxy-, sodium salt (1:1)
Butyric acid, 4-hydroxy-, monosodium salt
Butyric acid, 4-hydroxy-, monosodium salt (8CI)
BUTYRIC ACID, 4-HYDROXY-, SODIUM SALT
C4H7O3.Na
CHEBI:12006; CHEBI:20401
CHEMBL1200682
CID10412
D05866
DAP001522
EB 27
EINECS 207-953-3
Gamma Hydroxybutyric Acid
Gamma OH
gamma-Hydroxy sodium butyrate
gamma-Hydroxybutyrate sodium
gamma-Hydroxybutyrate sodium salt
gamma-Hydroxybutyric acid
gamma-Hydroxybutyric acid sodium salt
gamma-Hydroxybutyric acid, sodium salt
GHB
H-4040
H3635_SIGMA
HMS2091E15
Hydroxybutyric acid monosodium salt
Juice
Liquid Ecstasy
LS-48077
MFCD00004402
MolPort-001-766-711
MolPort-006-717-541
Natrium 4-hydroxybutyrat
NSC 84223
OR28769
Oxybate sodium
SODIUM 4-HYDROXYBUTYRATE
Sodium gamma-hydroxybutyrate
Sodium gammahydroxybutyrate
Sodium Hydroxy Butyrate
Sodium Oxybate
Sodium Oxybate (FDA
Sodium oxybate (USAN)
Sodium Oxybate [USAN]
Sodium Oxybutyrate
Sodium-4-hydroxybutyrate
Somsanit
UNII-7G33012534
USAN)
WY 3478
WY-3478
Xyrem
Xyrem (TN)
Download:
MOL2
SDF
SMILES
Flexibase
Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
-0.53 |
-0.64 |
-47.34 |
1 |
3 |
-1 |
60 |
103.097 |
3 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| UniProt Database Links |
4HDB_CLOK5; CAT2_CLOK5; GLYR1_ARATH; GLYR2_ARATH; HOT_AEDAE; HOT_ANOGA; HOT_BOVIN; HOT_CAEBR; HOT_CAEEL; HOT_DICDI; HOT_DROME; HOT_DROPS; HOT_HUMAN; HOT_MOUSE; HOT_PONAB; HOT_RAT; HOT_XENLA; HOT_XENTR; YDIF_ECO57 |
ChEBI |
| ALOGPS_SOLUBILITY |
7.11e+02 g/l |
DrugBank-approved |
| Therapy |
anesthetic |
SMDC Pharmakon |
| Patent Database Links |
EP1815871; EP1980235 |
ChEBI |
| Reactome Database Links |
REACT_25041; REACT_25102 |
ChEBI |
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
Q6RY99-1-E |
Gamma-hydroxybutyrate Receptor (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
6600 |
1.04 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
Q6RY99_RAT |
Q6RY99
|
Gamma-hydroxybutyrate Receptor, Rat |
6600 |
1.04 |
Binding ≤ 10μM
|
Direct Reactome Annotations (via ChEBI)
| Description |
Species |
|
Interconversion of 2-oxoglutarate and 2-hydroxyglutarate |
|
No pre-computed analogs available. Try a structural similarity search.
