Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Herb: 11Ingredient: 1Meta-analysis: 1Target: 12Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17309
- Core Entity Id
- 22409
- Source Entity Count
- 1
- Preferred Name
- Phosphatidyl-l-serine
- Name En
- Pubchem Id
- 6323481
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
- Molecular Formula
- C13H24NO10P
- Molecular Weight
- 385.3060
- Inchikey
- TZCPCKNHXULUIY-RGULYWFUSA-N
- Inchi
- InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
- Isomeric Smiles
- CCCC(=O)O[C@H](COC(=O)CC)COP(=O)(O)OC[C@@H](C(=O)O)N
- Cas Id
- 51446-62-9
- Ob Score
- 12.4480
- Mol Logp
- 0.1970
- Num H Donors
- 3
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.0310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dioctadecanoylphosphatidylserine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dioctadecanoylphosphatidylserine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Dioctadecanoylphosphatidylserine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dioctadecanoylphosphatidylserine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dioctadecanoylphosphatidylserine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dioctadecanoylphosphatidylserine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phosphatidyl-L-Serine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Phosphatidyl-l-serine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phosphatidyl-l-serine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
phosphatidyl-L-serine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S)-2-amino-3-[[(2R)-2,3-bis(1-oxooctadecoxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxy-propanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-3-[[(2R)-2,3-distearoyloxypropoxy]-hydroxy-phosphoryl]oxy-propionic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-dioctadecanoyl-sn-glycero-3-phosphoserine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-dioctadecanoyl-sn-glycero-3-phosphoserine
Role
alias
Source
HERB_v2
Preferred
No
Name
51446-62-9
Role
alias
Source
HERB_v2
Preferred
No
Name
51446-62-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB00144
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB00144
Role
alias
Source
HERB_v2
Preferred
No
Name
DSPS
Role
alias
Source
HERB_v2
Preferred
No
Name
DSPS
Role
alias
Source
itcmdb_public
Preferred
No
Name
Distearoylphosphatidylserine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Distearoylphosphatidylserine
Role
alias
Source
HERB_v2
Preferred
No
Name
GTPL3638
Role
alias
Source
itcmdb_public
Preferred
No
Name
GTPL3638
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Serine, 2,3-bis[(1-oxooctadecyl)oxy]propyl ester, dihydrogen phosphate (ester), (R)-
Role
alias
Source
TCMBank
Preferred
No
Name
LMGP03010036
Role
alias
Source
TCMBank
Preferred
No
Name
NS00070558
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00070558
Role
alias
Source
HERB_v2
Preferred
No
Name
PS(18:0/18:0)
Role
alias
Source
TCMBank
Preferred
No
Name
PS(18:0/18:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
PS(18:0/18:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphatidylserine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phosphatidylserine
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphatidylserine(36:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phosphatidylserine(36:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
Phosphotidylserine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phosphotidylserine
Role
alias
Source
HERB_v2
Preferred
No
Name
Q2354337
Role
alias
Source
HERB_v2
Preferred
No
Name
Q2354337
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL22762
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL22762
Role
alias
Source
itcmdb_public
Preferred
No
Name
phosphatidylserine
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Dioctadecanoylphosphatidylserine(2S)-2-amino-3-[[(2R)-2,3-bis(1-oxooctadecoxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid(2S)-2-amino-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxy-propanoic acid(2S)-2-amino-3-[[(2R)-2,3-distearoyloxypropoxy]-hydroxy-phosphoryl]oxy-propionic acid(2S)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid1,2-dioctadecanoyl-sn-glycero-3-phosphoserine51446-62-9DB00144DSPSDistearoylphosphatidylserineGTPL3638L-Serine, 2,3-bis[(1-oxooctadecyl)oxy]propyl ester, dihydrogen phosphate (ester), (R)-LMGP03010036NS00070558PS(18:0/18:0)PhosphatidylserinePhosphatidylserine(36:0)PhosphotidylserineQ2354337SCHEMBL22762
Cross References
Trusted external identifiers retained for this final record.
Cas
51446-62-9
Herb
HBIN024103HBIN039620HBIN039621
Npass
NPC241569
Tcmid
2405333391
Tcmsp
MOL010853MOL011431
Sym Map
SMIT01993SMIT11830SMIT12332
Tcm Id
1788
Pub Chem
63234819547096
Tcmbank
TCMBANKIN014909TCMBANKIN060769
Etcm Ingredient
Dioctadecanoylphosphatidylserinephosphatidyl-L-serinePhosphatidylserine
Itcmdb Generated
ITX-INGREDIENT-143BE7785D05ITX-INGREDIENT-6A01495FB5DCITX-INGREDIENT-77AE091FBE03
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
Mol Wt
385.3060000000001792.088999999999
Cas Id
51446-62-9
Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
Mol Log P
0.197000000000000811.50989999999999
Version
v1,v2
In Ch Ikey
TZCPCKNHXULUIY-RGULYWFUSA-NUNJJBGNPUUVVFQ-ZJUUUORDSA-N
Ob Score
12.44812.44801212.4480120528.5548576828.555
Suppress
0
Num Hdonors
3
Drug Likeness
0.0310.292
Num Hacceptors
9
Isomeric Smiles
CCCC(=O)O[C@H](COC(=O)CC)COP(=O)(O)OC[C@@H](C(=O)O)NCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
Molecule Weight
385.35792.22
Canonical Smiles
CCCC(=O)OC(COC(=O)CC)COP(=O)(O)OCC(C(=O)O)NCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
Herb Alias Names
DistearoylphosphatidylserinePhosphatidylserine51446-62-9Phosphotidylserine1,2-dioctadecanoyl-sn-glycero-3-phosphoserineDistearoyl phosphatidylserinePS(18:0/18:0)DSPSPhosphatidylserine(36:0)
Molecular Weight
385.110791.570
Molecular Weight
792.07
Molecular Formula
C13H24NO10PC42H82NO10P
Molecular Formula
C42H82NO10P
Molecular Formula
C13H24NO10PC42H82NO10P
Num Rotatable Bonds
1342
Fda Maximum Daily Dose (Fdamdd)
0.0870.232
Quantitative Estimate Of Drug Likeness（Qed）
0.0340.332