Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 14Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73704
- Core Entity Id
- 136353
- Source Entity Count
- 1
- Preferred Name
- MgAtp
- Name En
- Pubchem Id
- 15126
- Smiles Canonical
- C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Mg+2]
- Molecular Formula
- C10H14MgN5O13P3
- Molecular Weight
- 528.9700
- Inchikey
- CYYJCOXYBYJLIK-MCDZGGTQSA-L
- Inchi
- InChI=1S/C10H16N5O13P3.Mg/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);/q;+2/p-2/t4-,6-,7-,10-;/m1./s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -3.2738
- Num H Donors
- 5
- Num H Acceptors
- 17
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 285.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
MgAtp
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
MgAtp
Itcmdb Generated
ITX-INGREDIENT-CA401DA03F7A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
528.970
Molecular Formula
C10H14MgN5O13P3
Fda Maximum Daily Dose (Fdamdd)
0.871
Quantitative Estimate Of Drug Likeness（Qed）
0.265