Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 68700
- Core Entity Id
- 131349
- Source Entity Count
- 1
- Preferred Name
- 4-Oxopentanoic acid
- Name En
- Pubchem Id
- 11579
- Smiles Canonical
- CC(=O)CCC(=O)O
- Molecular Formula
- C5H8O3
- Molecular Weight
- 116.0500
- Inchikey
- JOOXCMJARBKPKM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.5000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 54.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Oxopentanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
4-Oxopentanoic acid
Itcmdb Generated
ITX-INGREDIENT-918E2CCD0FE9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
116.050
Molecular Formula
C5H8O3
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.582