Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64531
- Core Entity Id
- 111549
- Source Entity Count
- 1
- Preferred Name
- Phosphorylcholine
- Name En
- Pubchem Id
- 135437
- Smiles Canonical
- C[N+](C)(C)CCOP(=O)(O)[O-]
- Molecular Formula
- C5H15ClNO4P
- Molecular Weight
- 219.0400
- Inchikey
- YHHSONZFOIEMCP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.6000
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 69.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phosphorylcholine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Phosphorylcholine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Phosphorylcholine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26106
Etcm Ingredient
Phosphorylcholine
Itcmdb Generated
ITX-INGREDIENT-16B91F611A9DITX-INGREDIENT-D10D5D13BFC3
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0
Molecular Weight
219.040
Molecular Formula
C5H15ClNO4P
Fda Maximum Daily Dose (Fdamdd)
0.761
Quantitative Estimate Of Drug Likeness（Qed）
0.492