Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70805
- Core Entity Id
- 133454
- Source Entity Count
- 1
- Preferred Name
- choline chloride
- Name En
- Pubchem Id
- 6209
- Smiles Canonical
- C[N+](C)(C)CCO.[Cl-]
- Molecular Formula
- C5H14ClNO
- Molecular Weight
- 139.0800
- Inchikey
- SGMZJAMFUVOLNK-UHFFFAOYSA-M
- Inchi
- InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -3.3111
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
choline chloride
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
choline chloride
Itcmdb Generated
ITX-INGREDIENT-6BF756559AD3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
139.080
Molecular Formula
C5H14ClNO
Fda Maximum Daily Dose (Fdamdd)
0.357
Quantitative Estimate Of Drug Likeness（Qed）
0.476