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Plus 6,743 TCM formulas connecting herbs together
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⚗️ Ingredient

3-methylhistidine

Open on HERB 2.0 ↗
1
Clinical Trials
0
Meta-Analyses
0
PubMed References
Top Conditions Studied with 3-methylhistidine
Intestinal Diseases 1
📋 Sample Trials
NCT02772861
Citrulline Challenge Study for Healthy Subjects in the United Kingdom
Completed
📊 Sample Meta-Analyses
None linked yet.
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for 3-methylhistidine
⚗️ Identity
Name
3-methylhistidine
Aliases / Synonyms
3-Methyl-L-histidine; 368-16-1; H-His(3-Me)-OH; (S)-2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid; 3-N-Methyl-L-histidine; L-Histidine, 3-methyl-; N(pi)-Methyl-L-histidine; N(pros)-methyl-L-histidine; Tau-methylhistidine
🧪 Chemistry
Molecular Weight
169.1840
LogP
-0.6255
Drug-likeness
0.631
H-Bond Acceptors
4
H-Bond Donors
2
Rotatable Bonds
3
🔬 Structures
Canonical SMILES
CN1C=NC=C1CC(C(=O)O)N
Isomeric SMILES
CN1C=NC=C1C[C@@H](C(=O)O)N
InChIKey
JDHILDINMRGULE-LURJTMIESA-N
InChI
InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
🔗 External References
HERB DB
HBIN008951 ↗
PubChem CID
64969 ↗
NPASS
NPC73396
TCMID
14482
🔍 Raw view — every non-empty column on this row (28 fields)
name
3-methylhistidine
common names
3-Methyl-L-histidine; 368-16-1; H-His(3-Me)-OH; (S)-2-Amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid; 3-N-Methyl-L-histidine; L-Histidine, 3-methyl-; N(pi)-Methyl-L-histidine; N(pros)-methyl-L-histidine; Tau-methylhistidine
herb ingredient id
HBIN008951
canonical smiles
CN1C=NC=C1CC(C(=O)O)N
isomeric smiles
CN1C=NC=C1C[C@@H](C(=O)O)N
inchi
InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
inchikey
JDHILDINMRGULE-LURJTMIESA-N
mol wt
169.1840
num h acceptors
4
num h donors
2
mol logp
-0.6255
num rotatable bonds
3
drug likeness
0.631
tcmid ingredient id
14482
pubchem cid
64969
npass id
NPC73396

🏥 Linked Health Topics

1 · diseases via target pathways
Intestinal Diseases
group

📋 Clinical Trials

1 · subject of clinical study
NCT02772861 Citrulline Challenge Study for Healthy Subjects in the United Kingdom
→ Intestinal Diseases
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