Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25293
- Core Entity Id
- 31306
- Source Entity Count
- 1
- Preferred Name
- Lysolecithin
- Name En
- Pubchem Id
- 86554
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
- Molecular Formula
- C24H50NO7P
- Molecular Weight
- 495.6380
- Inchikey
- ASWBNKHCZGQVJV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
- Cas Id
- 14863-27-5
- Ob Score
- 0.2725
- Mol Logp
- 4.5796
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 23
- Drug Likeness
- 0.0960
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lysolecithin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Lysolecithin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lysolecithin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lysolecithin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
lysolecithin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
lysolecithin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
(3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Palmitoyl-Lysolecithin,Synthetic
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Palmitoyl-Lysolecithin,Synthetic
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Palmitoyl-rac-glycero-3-phosphocholine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Palmitoyl-rac-glycero-3-phosphocholine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Palmitoylphosphatidylcholine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Palmitoylphosphatidylcholine
Role
alias
Source
itcmdb_public
Preferred
No
Name
14863-27-5
Role
alias
Source
HERB_v2
Preferred
No
Name
14863-27-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
17364-18-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
17364-18-0
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-gamma-Palmitoyl-alpha-lysolecithin
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-gamma-Palmitoyl-alpha-lysolecithin
Role
alias
Source
HERB_v2
Preferred
No
Name
L-alpha-Lysophosphatidylcholine (Soy)
Role
alias
Source
HERB_v2
Preferred
No
Name
L-alpha-Lysophosphatidylcholine (Soy)
Role
alias
Source
itcmdb_public
Preferred
No
Name
PC(16:0/0:0)[rac]
Role
alias
Source
itcmdb_public
Preferred
No
Name
PC(16:0/0:0)[rac]
Role
alias
Source
HERB_v2
Preferred
No
Name
Palmitoyllysolectithin
Role
alias
Source
HERB_v2
Preferred
No
Name
Palmitoyllysolectithin
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate1-Palmitoyl-Lysolecithin,Synthetic1-Palmitoyl-rac-glycero-3-phosphocholine1-Palmitoylphosphatidylcholine14863-27-517364-18-0DL-gamma-Palmitoyl-alpha-lysolecithinL-alpha-Lysophosphatidylcholine (Soy)PC(16:0/0:0)[rac]Palmitoyllysolectithin
Cross References
Trusted external identifiers retained for this final record.
Cas
14863-27-5
Herb
HBIN034055
Tcmsp
MOL011418
Sym Map
SMIT12322
Pub Chem
86554
Tcmbank
TCMBANKIN003456
Etcm Ingredient
lysolecithin
Itcmdb Generated
ITX-INGREDIENT-F46CEE94B66E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3
Mol Wt
495.6380000000003
Cas Id
14863-27-5
Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Mol Log P
4.579600000000005
Version
v1,v2
In Ch Ikey
ASWBNKHCZGQVJV-UHFFFAOYSA-N
Ob Score
0.2725150.2725153690.273
Suppress
0
Num Hdonors
1
Drug Likeness
0.096
Num Hacceptors
7
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Molecule Weight
495.72
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Herb Alias Names
17364-18-01-Palmitoyl-rac-glycero-3-phosphocholineDL-gamma-Palmitoyl-alpha-lysolecithin1-Palmitoylphosphatidylcholine14863-27-51-Palmitoyl-Lysolecithin,SyntheticPC(16:0/0:0)[rac](3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphateL-alpha-Lysophosphatidylcholine (Soy)Palmitoyllysolectithin
Molecular Weight
496.340
Molecular Weight
495.6 g/mol
Molecular Formula
C24H51NO7P+
Molecular Formula
C24H50NO7P
Molecular Formula
C24H50NO7P
Num Rotatable Bonds
23
Fda Maximum Daily Dose (Fdamdd)
0.893
Quantitative Estimate Of Drug Likeness（Qed）
0.088