Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 16Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69807
- Core Entity Id
- 132456
- Source Entity Count
- 1
- Preferred Name
- Adenosine 5'-monophosphate disodium salt
- Name En
- Pubchem Id
- 20712
- Smiles Canonical
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N.[Na+].[Na+]
- Molecular Formula
- C10H12N5Na2O7P
- Molecular Weight
- 391.0300
- Inchikey
- QGXLVXZRPRRCRP-IDIVVRGQSA-L
- Inchi
- InChI=1S/C10H14N5O7P.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -9.1190
- Num H Donors
- 3
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 192.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adenosine 5'-monophosphate disodium salt
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Adenosine 5'-monophosphate disodium salt
Itcmdb Generated
ITX-INGREDIENT-D8AE365ADAB3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
391.030
Molecular Formula
C10H12N5Na2O7P
Fda Maximum Daily Dose (Fdamdd)
0.806
Quantitative Estimate Of Drug Likeness（Qed）
0.411