ITCMDBv1
IngredientID 38046

1,2-distearoyl-l-phosphatidic acid

C39H77O8P

Back to Browse

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: 3Links: 7
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
38046
Core Entity Id
61391
Source Entity Count
1
Preferred Name
1,2-distearoyl-l-phosphatidic acid
Name En
Pubchem Id
447938
Smiles Canonical
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Molecular Formula
C39H77O8P
Molecular Weight
705.0110
Inchikey
YFWHNAWEOZTIPI-DIPNUNPCSA-N
Inchi
InChI=1S/C39H77O8P/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/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Cas Id
Ob Score
19.2270
Mol Logp
12.0737
Num H Donors
2
Num H Acceptors
6
Num Rotatable Bonds
38
Drug Likeness
0.0370
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
1,2-Distearoyl-L-Phosphatidic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,2-Distearoyl-L-Phosphatidic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,2-Distearoyl-L-phosphatidic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-Distearoyl-L-phosphatidic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,2-distearoyl-l-phosphatidic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,2-distearoyl-l-phosphatidic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATE
Role
alias
Source
TCMBank
Preferred
No
Name
(R)-3-(Phosphonooxy)propane-1,2-diyl distearate
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-3-(Phosphonooxy)propane-1,2-diyl distearate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-dioctadecanoyl-sn-glycero-3-phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-dioctadecanoyl-sn-glycero-3-phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-dioctadecanoyl-sn-glycerol-3-phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-dioctadecanoyl-sn-glycerol-3-phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-distearoyl-sn-glycerol-3-phosphate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-distearoyl-sn-glycerol-3-phosphate
Role
alias
Source
itcmdb_public
Preferred
No
Name
17966-16-4
Role
alias
Source
HERB_v2
Preferred
No
Name
17966-16-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2SP
Role
alias
Source
TCMBank
Preferred
No
Name
LMGP10010028
Role
alias
Source
TCMBank
Preferred
No
Name
Octadecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-
Role
alias
Source
TCMBank
Preferred
No
Name
PA(18:0/18:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
PA(18:0/18:0)
Role
alias
Source
TCMBank
Preferred
No
Name
PA(18:0/18:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1R)-1-(octadecanoyloxymethyl)-2-phosphonooxy-ethyl] octadecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R)-1-octadecanoyloxy-3-phosphonooxypropan-2-yl] octadecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] octadecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] octadecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta,gamma-Distearoyl-L-alpha-phosphatidic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
beta,gamma-Distearoyl-L-alpha-phosphatidic acid
Role
alias
Source
TCMBank
Preferred
No
Name
beta,gamma-Distearoyl-L-alpha-phosphatidic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
distearoyl phosphatidic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
distearoyl phosphatidic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
octadecanoic acid [(1R)-1-(1-oxooctadecoxymethyl)-2-phosphonooxyethyl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
stearic acid [(1R)-1-(phosphonooxymethyl)-2-stearoyloxy-ethyl] ester
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATE(R)-3-(Phosphonooxy)propane-1,2-diyl distearate1,2-dioctadecanoyl-sn-glycero-3-phosphate1,2-dioctadecanoyl-sn-glycerol-3-phosphate1,2-distearoyl-sn-glycerol-3-phosphate17966-16-42SPLMGP10010028Octadecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-PA(18:0/18:0)[(1R)-1-(octadecanoyloxymethyl)-2-phosphonooxy-ethyl] octadecanoate[(2R)-1-octadecanoyloxy-3-phosphonooxypropan-2-yl] octadecanoate[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] octadecanoatebeta,gamma-Distearoyl-L-alpha-phosphatidic aciddistearoyl phosphatidic acidoctadecanoic acid [(1R)-1-(1-oxooctadecoxymethyl)-2-phosphonooxyethyl] esterstearic acid [(1R)-1-(phosphonooxymethyl)-2-stearoyloxy-ethyl] ester

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN000836
Tcmsp
MOL007350
Sym Map
SMIT08803
Pub Chem
447938
Tcmbank
TCMBANKIN018217
Etcm Ingredient
1,2-Distearoyl-L-phosphatidic acid
Itcmdb Generated
ITX-INGREDIENT-37362F51E602

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C39H77O8P/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/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
Mol Wt
705.0109999999994
Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Mol Log P
12.07369999999998
Version
v1,v2
In Ch Ikey
YFWHNAWEOZTIPI-DIPNUNPCSA-N
Ob Score
19.22719.22737519.22737515
Suppress
0
Num Hdonors
2
Drug Likeness
0.037
Num Hacceptors
6
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Molecule Weight
705.13
Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
Herb Alias Names
distearoyl phosphatidic acidbeta,gamma-Distearoyl-L-alpha-phosphatidic acidPA(18:0/18:0)1,2-distearoyl-sn-glycerol-3-phosphate[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] octadecanoate1,2-dioctadecanoyl-sn-glycero-3-phosphate1,2-dioctadecanoyl-sn-glycerol-3-phosphate(R)-3-(Phosphonooxy)propane-1,2-diyl distearate17966-16-4
Molecular Weight
704.540
Molecular Weight
705 g/mol
Molecular Formula
C39H77O8P
Molecular Formula
C39H77O8P
Molecular Formula
C39H77O8P
Num Rotatable Bonds
38
Fda Maximum Daily Dose (Fdamdd)
0.648
Quantitative Estimate Of Drug Likeness（Qed）
0.038