Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21767
- Core Entity Id
- 27381
- Source Entity Count
- 1
- Preferred Name
- Hydroxybutyric acid-
- Name En
- Pubchem Id
- 10413
- Smiles Canonical
- C(CC(=O)O)CO
- Molecular Formula
- C4H8O3
- Molecular Weight
- 104.1050
- Inchikey
- SJZRECIVHVDYJC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
- Isomeric Smiles
- C(CC(=O)O)CO
- Cas Id
- 591-81-1
- Ob Score
- 103.1716
- Mol Logp
- -0.1565
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydroxybutyric Acid-
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hydroxybutyric acid-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Hydroxybutyric acid-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hydroxybutyric acid-
Role
preferred
Source
TCMBank
Preferred
Yes
Name
.Gamma.-Hydroxy butyrate
Role
alias
Source
TCMBank
Preferred
No
Name
.gamma.-Hydroxybutyric acid decomposition product
Role
alias
Source
TCMBank
Preferred
No
Name
4-03-00-00774 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxybutanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxybutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxybutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Hydroxybuttersaeure
Role
alias
Source
TCMBank
Preferred
No
Name
4-Hydroxybutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxybutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxy-butyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
502-85-2 (SODIUM SALT)
Role
alias
Source
TCMBank
Preferred
No
Name
52352-27-9
Role
alias
Source
TCMBank
Preferred
No
Name
591-81-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
591-81-1
Role
alias
Source
TCMBank
Preferred
No
Name
591-81-1
Role
alias
Source
HERB_v2
Preferred
No
Name
AIDS156012
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1720582
Role
alias
Source
TCMBank
Preferred
No
Name
Butanoic acid, 4-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanoic acid, 4-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Butanoic acid, 4-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butyric acid, 4-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
C00989
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:30830
Role
alias
Source
TCMBank
Preferred
No
Name
Gamma Hydroxybutyric Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
HYDROXYBUTYRIC ACID, GAMMA
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01050006
Role
alias
Source
TCMBank
Preferred
No
Name
NSC84223 (SODIUM SALT)
Role
alias
Source
TCMBank
Preferred
No
Name
Oxybate
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxybate
Role
alias
Source
itcmdb_public
Preferred
No
Name
PDSP1_000342
Role
alias
Source
TCMBank
Preferred
No
Name
PDSP2_000340
Role
alias
Source
TCMBank
Preferred
No
Name
Xyrem
Role
alias
Source
HERB_v2
Preferred
No
Name
Xyrem
Role
alias
Source
itcmdb_public
Preferred
No
Name
gamma-Hydroxybutyrate
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-Hydroxybutyrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
gamma-Hydroxybutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-Hydroxybutyric acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.Gamma.-Hydroxy butyrate.gamma.-Hydroxybutyric acid decomposition product4-03-00-00774 (Beilstein Handbook Reference)4-Hydroxybutanoic acid4-Hydroxybuttersaeure4-Hydroxybutyric acid4-hydroxy-butyric acid502-85-2 (SODIUM SALT)52352-27-9591-81-1AIDS156012BRN 1720582Butanoic acid, 4-hydroxy-Butyric acid, 4-hydroxy-C00989CHEBI:30830Gamma Hydroxybutyric AcidHYDROXYBUTYRIC ACID, GAMMALMFA01050006NSC84223 (SODIUM SALT)OxybatePDSP1_000342PDSP2_000340Xyremgamma-Hydroxybutyrategamma-Hydroxybutyric acid
Cross References
Trusted external identifiers retained for this final record.
Cas
591-81-1
Herb
HBIN029706
Npass
NPC198126
Tcmsp
MOL013247
Sym Map
SMIT13926
Pub Chem
10413
Tcmbank
TCMBANKIN004949
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
Mol Wt
104.105
Cas Id
591-81-1
Smiles
C(CC(=O)O)CO
Mol Log P
-0.1565
Version
v1,v2
In Ch Ikey
SJZRECIVHVDYJC-UHFFFAOYSA-N
Ob Score
103.1715606103.171561103.172
Suppress
0
Num Hdonors
2
Drug Likeness
0.523
Num Hacceptors
2
Isomeric Smiles
C(CC(=O)O)CO
Molecule Weight
104.12
Canonical Smiles
C(CC(=O)O)CO
Herb Alias Names
4-Hydroxybutanoic acid4-Hydroxybutyric acidgamma-Hydroxybutyric acid591-81-1gamma-HydroxybutyrateXyrem4-hydroxy-butyric acidOxybateButanoic acid, 4-hydroxy-Gamma Hydroxybutyric Acid
Molecular Weight
104.1
Molecular Formula
C4H8O3
Molecular Formula
C4H8O3
Num Rotatable Bonds
3