Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29727
- Core Entity Id
- 36224
- Source Entity Count
- 1
- Preferred Name
- Phosphatidic acid
- Name En
- Pubchem Id
- 446066
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
- Molecular Formula
- C35H69O8P
- Molecular Weight
- 648.9030
- Inchikey
- PORPENFLTBBHSG-MGBGTMOVSA-N
- Inchi
- InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
- Cas Id
- Ob Score
- Mol Logp
- 10.5133
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 34
- Drug Likeness
- 0.0400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phosphatidic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Phosphatidic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Phosphatidic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phosphatidic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
phosphatidic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-Dipalmitoyl-3-sn-phosphatidic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dipalmitoyl-3-sn-phosphatidic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dipalmitoyl-sn-glycerol 3-phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dipalmitoyl-sn-glycerol 3-phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dipalmitoyl-sn-glycerol-3-phosphoric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dipalmitoyl-sn-glycerol-3-phosphoric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
7091-44-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
7091-44-3
Role
alias
Source
HERB_v2
Preferred
No
Name
Dipalmitoyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Dipalmitoyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-A-PHOSPHATIDIC ACID, DIPALMITOYL*FREE ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-A-PHOSPHATIDIC ACID, DIPALMITOYL*FREE ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
PA(16:0/16:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
PA(16:0/16:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
dipalmitoyl phosphatidic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
dipalmitoylphosphatidic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2-Dipalmitoyl-3-sn-phosphatidic acid1,2-Dipalmitoyl-sn-glycerol 3-phosphate1,2-Dipalmitoyl-sn-glycerol-3-phosphoric acid7091-44-3DipalmitoylL-A-PHOSPHATIDIC ACID, DIPALMITOYL*FREE ACIDPA(16:0/16:0)dipalmitoyl phosphatidic aciddipalmitoylphosphatidic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
308069-40-1
Herb
HBIN039614
Npass
NPC322029
Tcmid
23290
Sym Map
SMIT26099
Tcm Id
14646146471792
Pub Chem
4460665287505
Tcmbank
TCMBANKIN004707
Itcmdb Generated
ITX-INGREDIENT-BA92C37E2FA9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)/t33-/m1/s1
Mol Wt
648.9029999999997
Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
Mol Log P
10.5133
Version
v2
In Ch Ikey
PORPENFLTBBHSG-MGBGTMOVSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.04
Num Hacceptors
6
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
Herb Alias Names
7091-44-31,2-Dipalmitoyl-sn-glycerol 3-phosphateDipalmitoyldipalmitoyl phosphatidic acid1,2-Dipalmitoyl-3-sn-phosphatidic acidL-A-PHOSPHATIDIC ACID, DIPALMITOYL*FREE ACIDdipalmitoylphosphatidic acid1,2-Dipalmitoyl-sn-glycerol-3-phosphoric acidPA(16:0/16:0)
Molecular Weight
648.9 g/mol
Molecular Formula
C35H69O8P
Molecular Formula
C35H69O8P
Num Rotatable Bonds
34