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Disease
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trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
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⚗️ Ingredient

Adenosine triphosphate

Open on HERB 2.0 ↗
1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with Adenosine triphosphate
Cachexia|Unspecified Adult Solid Tumor, Protocol Specific 1
📋 Sample Trials
NCT00014248
Adenosine Triphosphate in Treating Patients With Advanced Solid Tumors
Completed · Phase 1
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for Adenosine triphosphate
⚗️ Identity
Name
Adenosine triphosphate
Aliases / Synonyms
56-65-5; Adenosine 5'-triphosphate; ATP; adenosine-5'-triphosphate; Myotriphos; Striadyne; Triadenyl; Triphosphaden; Atriphos
🧪 Chemistry
Molecular Weight
507.1820
LogP
-1.6290
Drug-likeness
0.197
Oral Bioavailability
8.2300
H-Bond Acceptors
14
H-Bond Donors
7
Rotatable Bonds
8
🔬 Structures
Canonical SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
Isomeric SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
InChI
InChI=1S/C10H16N5O13P3/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)/t4-,6-,7-,10-/m1/s1
🔗 External References
HERB DB
HBIN014695 ↗
PubChem CID
5957 ↗
NPASS
NPC319558
SymMap
1167
TCMID
626
TCMSP
MOL005307
🔍 Raw view — every non-empty column on this row (31 fields)
name
Adenosine triphosphate
common names
56-65-5; Adenosine 5'-triphosphate; ATP; adenosine-5'-triphosphate; Myotriphos; Striadyne; Triadenyl; Triphosphaden; Atriphos
herb ingredient id
HBIN014695
canonical smiles
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
isomeric smiles
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
inchi
InChI=1S/C10H16N5O13P3/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)/t4-,6-,7-,10-/m1/s1
inchikey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
mol wt
507.1820
num h acceptors
14
num h donors
7
mol logp
-1.6290
num rotatable bonds
8
drug likeness
0.197
ob score
8.2300
symmap mol id
1167
tcmid ingredient id
626
tcmsp ingredient id
MOL005307
pubchem cid
5957
npass id
NPC319558

📋 Clinical Trials

1 · subject of clinical study
NCT00014248 Adenosine Triphosphate in Treating Patients With Advanced Solid Tumors
→ Cachexia|Unspecified Adult Solid Tumor, Protocol S
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: ACTIVE — direct link via herb_ingredients
  • Ingredient ↔ Target: ACTIVE — direct link via ingredient_targets
  • Target ↔ Disease: ACTIVE — direct link via target_health_topics
  • Herb → Target → Disease (full chemical spine): ACTIVE — joins all three link tables