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Herb: 12Ingredient: 1Target: 4Links: 18
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24305
- Core Entity Id
- 30203
- Source Entity Count
- 1
- Preferred Name
- Phosphatidyl ethanolamine
- Name En
- Phosphatidylethanolamine
- Pubchem Id
- 90657571
- Smiles Canonical
- CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCC
- Molecular Formula
- C29H58NO8P
- Molecular Weight
- 579.7560
- Inchikey
- NEZDNQCXEZDCBI-WJOKGBTCSA-N
- Inchi
- InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1
- Isomeric Smiles
- CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCC
- Cas Id
- 90989-93-8
- Ob Score
- 20.6850
- Mol Logp
- 6.0267
- Num H Donors
- 1
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 29
- Drug Likeness
- 0.0410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-Beta,Gamma-Dimyristoyl-Alpha-Cephalin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
L-Beta,Gamma-Dimyristoyl-Alpha-Cephalin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
L-beta,gamma-Dimyristoyl-alpha-cephalin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
L-beta,gamma-Dimyristoyl-alpha-cephalin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
L-beta,gamma-dimyristoyl-alpha-cephalin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
L-beta,gamma-dimyristoyl-alpha-cephalin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phosphatidyl Ethanolamine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Phosphatidyl ethanolamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Phosphatidyl ethanolamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
phosphatidyl ethanolamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
phosphatidyl ethanolamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
(2r)-3-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-(Tetradecanoyloxy)propyl Tetradecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2r)-3-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-(Tetradecanoyloxy)propyl Tetradecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dilauroyl-sn-glycero-3-PE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dilauroyl-sn-glycero-3-PE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-dilauroyl-phosphatidyl-ethanolamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-dilauroyl-phosphatidyl-ethanolamine
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamine
Role
alias
Source
HERB_v2
Preferred
No
Name
12:0 PE, 1,2-dilauroyl-sn-glycero-3-phosphoethanolamine, powder
Role
alias
Source
HERB_v2
Preferred
No
Name
12:0 PE, 1,2-dilauroyl-sn-glycero-3-phosphoethanolamine, powder
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-sn-Phosphatidylethanolamine, 1,2-dimyristoyl
Role
alias
Source
TCMBank
Preferred
No
Name
998-07-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
998-07-2
Role
alias
Source
HERB_v2
Preferred
No
Name
BP-29614
Role
alias
Source
itcmdb_public
Preferred
No
Name
BP-29614
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimyristoyl cephalin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimyristoyl cephalin
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimyristoyl phosphatidylethanolamine
Role
alias
Source
HERB_v2
Preferred
No
Name
Dimyristoyl phosphatidylethanolamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dimyristoyl-L-alpha-phosphatidylethanolamine
Role
alias
Source
TCMBank
Preferred
No
Name
P5693_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
PD018773
Role
alias
Source
itcmdb_public
Preferred
No
Name
PD018773
Role
alias
Source
HERB_v2
Preferred
No
Name
PE(14:0/14:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
PE(14:0/14:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Z37OX1ASNK
Role
alias
Source
itcmdb_public
Preferred
No
Name
Z37OX1ASNK
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1R)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-tetradecanoyloxy-ethyl] tetradecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-tetradecanoyloxy-propan-2-yl] tetradecanoate
Role
alias
Source
TCMBank
Preferred
No
Name
myristic acid [(1R)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-tetradecanoyloxy-ethyl] ester
Role
alias
Source
TCMBank
Preferred
No
Name
phosphatidylethanolamine
Role
alias
Source
TCMBank
Preferred
No
Name
phosphatidylethanolamine (didodecanoyl, n-C12:0)
Role
alias
Source
HERB_v2
Preferred
No
Name
phosphatidylethanolamine (didodecanoyl, n-C12:0)
Role
alias
Source
itcmdb_public
Preferred
No
Name
tetradecanoic acid [(1R)-1-[(2-aminoethoxy-hydroxyphosphoryl)oxymethyl]-2-(1-oxotetradecoxy)ethyl] ester
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
L-Beta,Gamma-Dimyristoyl-Alpha-Cephalin(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate(2r)-3-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-(Tetradecanoyloxy)propyl Tetradecanoate1,2-Dilauroyl-sn-glycero-3-PE1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine1,2-dilauroyl-phosphatidyl-ethanolamine1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamine12:0 PE, 1,2-dilauroyl-sn-glycero-3-phosphoethanolamine, powder3-sn-Phosphatidylethanolamine, 1,2-dimyristoyl998-07-2BP-29614Dimyristoyl cephalinDimyristoyl phosphatidylethanolamineDimyristoyl-L-alpha-phosphatidylethanolamineP5693_SIGMAPD018773PE(14:0/14:0)Tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl esterZ37OX1ASNK[(1R)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-tetradecanoyloxy-ethyl] tetradecanoate[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-tetradecanoyloxy-propan-2-yl] tetradecanoatemyristic acid [(1R)-1-[(2-aminoethoxy-hydroxy-phosphoryl)oxymethyl]-2-tetradecanoyloxy-ethyl] esterphosphatidylethanolaminephosphatidylethanolamine (didodecanoyl, n-C12:0)tetradecanoic acid [(1R)-1-[(2-aminoethoxy-hydroxyphosphoryl)oxymethyl]-2-(1-oxotetradecoxy)ethyl] ester
Cross References
Trusted external identifiers retained for this final record.
Cas
90989-93-8
Herb
HBIN032801HBIN039616
Tcmid
2316334233
Tcmsp
MOL008247MOL010882
Sym Map
SMIT00331SMIT09562
Tcm Id
1790
Pub Chem
906575719852308
Tcmbank
TCMBANKIN002716TCMBANKIN008882
Etcm Ingredient
L-beta,gamma-Dimyristoyl-alpha-cephalinphosphatidyl ethanolamine
Itcmdb Generated
ITX-INGREDIENT-336201074B81ITX-INGREDIENT-BDB1925BA62E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
Mol Wt
579.7560000000002635.8639999999998
Cas Id
90989-93-8
Smiles
CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCC
Mol Log P
6.0267000000000038.935900000000006
Version
v1,v2
In Ch Ikey
NEZDNQCXEZDCBI-WJOKGBTCSA-NZLGYVWRJIZPQMM-HHHXNRCGSA-N
Ob Score
20.68520.68521320.6852131324.24824.2482276124.248228
Suppress
0
Num Hdonors
12
Drug Likeness
0.0410.064
Num Hacceptors
8
Isomeric Smiles
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
Molecule Weight
635.97716.11
Canonical Smiles
CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
Herb Alias Names
998-07-21,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine(2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl ditetradecanoate1,2-ditetradecanoyl-sn-glycero-3-phosphoethanolamineDimyristoyl cephalinDimyristoyl phosphatidylethanolamineZ37OX1ASNKPE(14:0/14:0)Tetradecanoic acid, (1R)-1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl ester(2r)-3-{[(S)-(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-2-(Tetradecanoyloxy)propyl Tetradecanoate
Molecular Weight
635.450715.520
Molecular Weight
635.97716.11
Molecular Formula
C33H66NO8PC39H74NO8P
Molecular Formula
C29H58NO8PC33H66NO8P
Num Rotatable Bonds
2933
Fda Maximum Daily Dose (Fdamdd)
0.6430.944
Quantitative Estimate Of Drug Likeness（Qed）
0.0220.043