Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65431
- Core Entity Id
- 128080
- Source Entity Count
- 1
- Preferred Name
- (2S)-2,6-diammoniohexanoate
- Name En
- Pubchem Id
- 5460926
- Smiles Canonical
- C(CC[NH3+])CC(C(=O)[O-])[NH3+]
- Molecular Formula
- C6H15N2O2+
- Molecular Weight
- 147.1100
- Inchikey
- KDXKERNSBIXSRK-YFKPBYRVSA-O
- Inchi
- InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.4000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 95.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-2,6-diammoniohexanoate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(2S)-2,6-diammoniohexanoate
Itcmdb Generated
ITX-INGREDIENT-A3A876DD4B41
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
147.110
Molecular Formula
C6H15N2O2+
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.457