Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70137
- Core Entity Id
- 132786
- Source Entity Count
- 1
- Preferred Name
- Arg-gly-asp
- Name En
- Pubchem Id
- 104802
- Smiles Canonical
- C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)O)N)CN=C(N)N
- Molecular Formula
- C12H22N6O6
- Molecular Weight
- 346.1600
- Inchikey
- IYMAXBFPHPZYIK-BQBZGAKWSA-N
- Inchi
- InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -6.0000
- Num H Donors
- 7
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 223.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arg-gly-asp
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Arg-gly-asp
Itcmdb Generated
ITX-INGREDIENT-5B3E55F2106D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
346.160
Molecular Formula
C12H22N6O6
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.107