Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64527
- Core Entity Id
- 111545
- Source Entity Count
- 1
- Preferred Name
- Phosphatidylcholines
- Name En
- Pubchem Id
- 24778708
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
- Molecular Formula
- C43H86NO8P
- Molecular Weight
- 776.1000
- Inchikey
- DRHYTKZTKWDSBJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C43H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 15.1000
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 43
- Drug Likeness
- Polar Surface Area
- 111.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phosphatidylcholines
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Phosphatidylcholines
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26101
Itcmdb Generated
ITX-INGREDIENT-BCAE7F39C554
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0