Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 6Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71719
- Core Entity Id
- 134368
- Source Entity Count
- 1
- Preferred Name
- D-valine
- Name En
- Pubchem Id
- 71563
- Smiles Canonical
- CC(C)C(C(=O)O)N
- Molecular Formula
- C5H11NO2
- Molecular Weight
- 117.0800
- Inchikey
- KZSNJWFQEVHDMF-SCSAIBSYSA-N
- Inchi
- InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.3000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 63.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
D-valine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
D-valine
Itcmdb Generated
ITX-INGREDIENT-D3A943326254
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
117.080
Molecular Formula
C5H11NO2
Fda Maximum Daily Dose (Fdamdd)
0.009
Quantitative Estimate Of Drug Likeness（Qed）
0.537