Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66035
- Core Entity Id
- 128684
- Source Entity Count
- 1
- Preferred Name
- 1,2-linoleoylphosphatidylcholine
- Name En
- Pubchem Id
- 6440944
- Smiles Canonical
- CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
- Molecular Formula
- C44H80NO8P
- Molecular Weight
- 781.5600
- Inchikey
- FVXDQWZBHIXIEJ-ZPPAUJSGSA-N
- Inchi
- InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 12.4000
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 40
- Drug Likeness
- Polar Surface Area
- 111.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2-linoleoylphosphatidylcholine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2-linoleoylphosphatidylcholine
Itcmdb Generated
ITX-INGREDIENT-D6BB4E6A4D1F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
781.560
Molecular Formula
C44H80NO8P
Fda Maximum Daily Dose (Fdamdd)
0.909
Quantitative Estimate Of Drug Likeness（Qed）
0.020