Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64230
- Core Entity Id
- 111248
- Source Entity Count
- 1
- Preferred Name
- Lysopc(20:5(5Z,8Z,11Z,14Z,17Z))
- Name En
- Pubchem Id
- 11757087
- Smiles Canonical
- CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
- Molecular Formula
- C28H48NO7P
- Molecular Weight
- 541.7000
- Inchikey
- PDIGSOAOQOXRDU-WJPZTBRDSA-N
- Inchi
- InChI=1S/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t27-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 23
- Drug Likeness
- Polar Surface Area
- 105.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lysopc(20:5(5Z,8Z,11Z,14Z,17Z))
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lysopc(20:5(5Z,8Z,11Z,14Z,17Z))
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25201
Itcmdb Generated
ITX-INGREDIENT-22C7E227587A
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0