Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70183
- Core Entity Id
- 132832
- Source Entity Count
- 1
- Preferred Name
- Asparaginic acid
- Name En
- Pubchem Id
- 5960
- Smiles Canonical
- C(C(C(=O)O)N)C(=O)O
- Molecular Formula
- C4H7NO4
- Molecular Weight
- 133.0400
- Inchikey
- CKLJMWTZIZZHCS-REOHCLBHSA-N
- Inchi
- InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.8000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 101.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Asparaginic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Asparaginic acid
Itcmdb Generated
ITX-INGREDIENT-774A7192F0DA
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
133.040
Molecular Formula
C4H7NO4
Fda Maximum Daily Dose (Fdamdd)
0.006
Quantitative Estimate Of Drug Likeness（Qed）
0.452