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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Isoleucine

C6H13NO2

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Entity Type
Ingredients
Relation Groups
2
Relation Preview
16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Isoleucine
Molecular Formula
C6H13NO2
Molecular Weight
No data
Canonical SMILES
CCC(C)C(C(=O)O)N
Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
Oral Bioavailability
No data
Drug Likeness
0.584
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
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Direct relations and traceable candidates grouped by relation type.

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