Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63932
- Core Entity Id
- 110950
- Source Entity Count
- 1
- Preferred Name
- Heptanoylcholine
- Name En
- Pubchem Id
- 18025
- Smiles Canonical
- CCCCCCC(=O)OCC[N+](C)(C)C
- Molecular Formula
- C12H26NO2+
- Molecular Weight
- 216.3400
- Inchikey
- XZYNWDWRUDTDCH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H26NO2/c1-5-6-7-8-9-12(14)15-11-10-13(2,3)4/h5-11H2,1-4H3/q+1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 26.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heptanoylcholine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Heptanoylcholine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24394
Itcmdb Generated
ITX-INGREDIENT-CE24D11958A6
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0