Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69040
- Core Entity Id
- 131689
- Source Entity Count
- 1
- Preferred Name
- 5-oxohexanoate
- Name En
- Pubchem Id
- 6419736
- Smiles Canonical
- CC(=O)CCCC(=O)[O-]
- Molecular Formula
- C6H10O3
- Molecular Weight
- 130.0600
- Inchikey
- MGTZCLMLSSAXLD-UHFFFAOYSA-M
- Inchi
- InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)/p-1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.4000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 57.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-oxohexanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-oxohexanoate
Itcmdb Generated
ITX-INGREDIENT-192D741A2675
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
130.060
Molecular Formula
C6H10O3
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.613