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: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33679
- Core Entity Id
- 40629
- Source Entity Count
- 1
- Preferred Name
- Soy lecithin
- Name En
- Pubchem Id
- 24778686
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
- Molecular Formula
- C42H84NO8P
- Molecular Weight
- 762.1070
- Inchikey
- PZNPLUBHRSSFHT-RRHRGVEJSA-N
- Inchi
- InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 11.3920
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 40
- Drug Likeness
- 0.0260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Soy Lecithin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Soy Lecithin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Soy lecithin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Soy lecithin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
soy lecithin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Palmitoyl-2-stearoyl-phosphatidylcholine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Palmitoyl-2-stearoyl-phosphatidylcholine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine
Role
alias
Source
HERB_v2
Preferred
No
Name
1-palmitoyl-2-stearoyl-GPC
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-palmitoyl-2-stearoyl-GPC
Role
alias
Source
HERB_v2
Preferred
No
Name
59403-51-9
Role
alias
Source
HERB_v2
Preferred
No
Name
59403-51-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
GPCho(16:0/18:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
GPCho(16:0/18:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
GPCho(34:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
GPCho(34:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
PC(16:0/18:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
PC(16:0/18:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphatidylcholine(16:0/18:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphatidylcholine(16:0/18:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE1-Palmitoyl-2-stearoyl-phosphatidylcholine1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine1-palmitoyl-2-stearoyl-GPC59403-51-9GPCho(16:0/18:0)GPCho(34:0)PC(16:0/18:0)Phosphatidylcholine(16:0/18:0)[(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044462
Tcmid
24698
Sym Map
SMIT18676
Pub Chem
24778686
Tcmbank
TCMBANKIN003718
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
Mol Wt
762.1070000000001
Mol Log P
11.39199999999999
Version
v1,v2
In Ch Ikey
PZNPLUBHRSSFHT-RRHRGVEJSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.026
Num Hacceptors
8
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Herb Alias Names
59403-51-91-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholinePC(16:0/18:0)GPCho(34:0)Phosphatidylcholine(16:0/18:0)GPCho(16:0/18:0)1-palmitoyl-2-stearoyl-GPC1-Palmitoyl-2-stearoyl-phosphatidylcholine[(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula
C42H84NO8P
Num Rotatable Bonds
40