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
- 68068
- Core Entity Id
- 130717
- Source Entity Count
- 1
- Preferred Name
- 3-HYDROXY-3-METHYLGLUTARIC ACID
- Name En
- Pubchem Id
- 1662
- Smiles Canonical
- CC(CC(=O)O)(CC(=O)O)O
- Molecular Formula
- C6H10O5
- Molecular Weight
- 162.0500
- Inchikey
- NPOAOTPXWNWTSH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.2000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 94.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-HYDROXY-3-METHYLGLUTARIC ACID
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-HYDROXY-3-METHYLGLUTARIC ACID
Itcmdb Generated
ITX-INGREDIENT-14B19E4223A8
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
162.050
Molecular Formula
C6H10O5
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.527