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: 1Target: 4Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66031
- Core Entity Id
- 128680
- Source Entity Count
- 1
- Preferred Name
- 1,2-Dioleoyl-sn-glycero-3-phosphoric acid sodium salt
- Name En
- Pubchem Id
- 77620738
- Smiles Canonical
- CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCCC=CCCCCCCCC.[Na+].[Na+]
- Molecular Formula
- C39H71Na2O8P
- Molecular Weight
- 744.4700
- Inchikey
- HHNZGVIIHXMJMR-AXMZSLBLSA-L
- Inchi
- InChI=1S/C39H73O8P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44);;/q;2*+1/p-2/b19-17-,20-18-;;
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.3697
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 37
- Drug Likeness
- Polar Surface Area
- 125.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,2-Dioleoyl-sn-glycero-3-phosphoric acid sodium salt
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,2-Dioleoyl-sn-glycero-3-phosphoric acid sodium salt
Itcmdb Generated
ITX-INGREDIENT-43AB2CC6806C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
744.470
Molecular Formula
C39H71Na2O8P
Fda Maximum Daily Dose (Fdamdd)
0.649
Quantitative Estimate Of Drug Likeness（Qed）
0.027