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
- 5278
- Core Entity Id
- 9054
- Source Entity Count
- 1
- Preferred Name
- 3r-hydroxy-butanoic acid
- Name En
- Pubchem Id
- 92135
- Smiles Canonical
- CC(CC(=O)O)O
- Molecular Formula
- C4H8O3
- Molecular Weight
- 104.1050
- Inchikey
- WHBMMWSBFZVSSR-GSVOUGTGSA-N
- Inchi
- InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
- Isomeric Smiles
- C[C@H](CC(=O)O)O
- Cas Id
- 625-71-8
- Ob Score
- 78.0490
- Mol Logp
- -0.1581
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3R-Hydroxy-Butanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3R-hydroxy-butanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3r-hydroxy-butanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3r-hydroxy-butanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-3-Hydroxy-n-butyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-3-Hydroxybutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(-)-3-Hydroxybutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-3-Hydroxybutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-beta-Hydroxybutyrate, D-
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-hydroxybutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R)-3-hydroxybutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R)-3-hydroxybutanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(3R)-3-hydroxybutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-(-)-3-Hydroxybutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-(-)-beta-Hydroxybutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-(-)-beta-Hydroxybutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-(-)-beta-Hydroxybutyric acid
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-3-
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-3-Hydroxybutanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-3-Hydroxybutanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-3-Hydroxybutanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-3-Hydroxybutanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-3-Hydroxybutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(R)-3-Hydroxybutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-beta-Hydroxybutanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
54920_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
625-72-9
Role
alias
Source
HERB_v2
Preferred
No
Name
625-72-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanoic acid, 3-hydroxy-, (3R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Butanoic acid, 3-hydroxy-, (3R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Butanoic acid, 3-hydroxy-, (R)-
Role
alias
Source
TCMBank
Preferred
No
Name
Butyric acid, 3-hydroxy-, D-(-)-
Role
alias
Source
TCMBank
Preferred
No
Name
C01089
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17066
Role
alias
Source
TCMBank
Preferred
No
Name
D-3-hydroxybutyric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
D-3-hydroxybutyric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 210-909-6
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01050243
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-3-Hydroxy-n-butyric acid(-)-3-Hydroxybutyric acid(-)-beta-Hydroxybutyrate, D-(3R)-3-hydroxybutanoic acid(3R)-3-hydroxybutyric acid(R)-(-)-3-Hydroxybutyric acid(R)-(-)-beta-Hydroxybutyric acid(R)-3-(R)-3-Hydroxybutanoate(R)-3-Hydroxybutanoic acid(R)-3-Hydroxybutyric acid(R)-beta-Hydroxybutanoic acid54920_FLUKA625-72-9Butanoic acid, 3-hydroxy-, (3R)-Butanoic acid, 3-hydroxy-, (R)-Butyric acid, 3-hydroxy-, D-(-)-C01089CHEBI:17066D-3-hydroxybutyric acidEINECS 210-909-6LMFA01050243
Cross References
Trusted external identifiers retained for this final record.
Cas
625-71-8
Herb
HBIN009583
Npass
NPC250870
Tcmsp
MOL006184
Sym Map
SMIT07841
Pub Chem
92135
Tcmbank
TCMBANKIN021524
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
Mol Wt
104.105
Cas Id
625-71-8
Smiles
CC(CC(=O)O)O
Mol Log P
-0.1581
Version
v1,v2
In Ch Ikey
WHBMMWSBFZVSSR-GSVOUGTGSA-N
Ob Score
78.04978.04947778.04947749
Suppress
0
Num Hdonors
2
Drug Likeness
0.512
Num Hacceptors
2
Isomeric Smiles
C[C@H](CC(=O)O)O
Molecule Weight
104.12
Canonical Smiles
CC(CC(=O)O)O
Herb Alias Names
(R)-3-Hydroxybutanoic acid625-72-9(R)-3-Hydroxybutyric acid(3R)-3-hydroxybutanoic acid(R)-3-HydroxybutanoateButanoic acid, 3-hydroxy-, (3R)-(R)-(-)-3-Hydroxybutyric acidD-3-hydroxybutyric acid(R)-(-)-beta-Hydroxybutyric acid(-)-3-Hydroxybutyric acid
Molecular Weight
104.1
Molecular Formula
C4H8O3
Molecular Formula
C4H8O3
Num Rotatable Bonds
2