Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62796
- Core Entity Id
- 109814
- Source Entity Count
- 1
- Preferred Name
- 3-Hydroxybutyric Acid
- Name En
- Pubchem Id
- 441
- Smiles Canonical
- CC(CC(=O)O)O
- Molecular Formula
- C4H8O3
- Molecular Weight
- 104.0500
- Inchikey
- WHBMMWSBFZVSSR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.5000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxybutyric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-Hydroxybutyric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21166
Etcm Ingredient
3-Hydroxybutyric acid
Itcmdb Generated
ITX-INGREDIENT-4A60EDB1B4BDITX-INGREDIENT-B0E85D4079C3
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0
Molecular Weight
104.050
Molecular Formula
C4H8O3
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.512