Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73397
- Core Entity Id
- 136046
- Source Entity Count
- 1
- Preferred Name
- L-α-Phosphatidylinositol
- Name En
- Pubchem Id
- 172909680
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
- Molecular Formula
- C45H87O13P
- Molecular Weight
- 866.5900
- Inchikey
- FQZQXPXKJFOAGE-CZKPBYKJSA-N
- Inchi
- InChI=1S/C45H87O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40-45,48-52H,3-36H2,1-2H3,(H,53,54)/t37-,40?,41-,42+,43-,44-,45?/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 12.4000
- Num H Donors
- 6
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 42
- Drug Likeness
- Polar Surface Area
- 210.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-α-Phosphatidylinositol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
L-α-Phosphatidylinositol
Itcmdb Generated
ITX-INGREDIENT-01E14DC2323D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
866.590
Molecular Formula
C45H87O13P
Fda Maximum Daily Dose (Fdamdd)
0.262
Quantitative Estimate Of Drug Likeness（Qed）
0.022