Colfosceril palmitate

Details

• Internal ID: 84df6865-0578-4f36-a144-69b34ece7f79
• Taxonomy: Lipids and lipid-like molecules > Glycerophospholipids > Glycerophosphocholines > Phosphatidylcholines
• IUPAC Name: [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
• SMILES (Canonical): CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
• SMILES (Isomeric): CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
• InChI: InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1
• InChI Key: KILNVBDSWZSGLL-KXQOOQHDSA-N
• Popularity: 265 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₀H₈₀NO₈P
• Molecular Weight: 734.00 g/mol
• Exact Mass: 733.56215551 g/mol
• Topological Polar Surface Area (TPSA): 111.00 Ų
• XlogP: 13.50

Synonyms

• Colfosceril palmitate
• 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine
• DPPC
• diPalmitoylphosphatidylcholine
• 1,2-Dipalmitoyl-L-lecithin
• 1,2-dihexadecanoyl-sn-glycero-3-phosphocholine
• PC(16:0/16:0)
• Colfoscerili palmitas
• (R)-2,3-Bis(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
• L-DPPC
• Palmitate de colfosceril
• Palmitato de colfoscerilo
• Dipalmitoyl phosphatidylcholine
• Dppc, l-
• Dppc, r-
• Dipalmitoyl lecithin, l-
• 1,2-Dipalmitoyl-sn-glycero-3-phosphorylcholine
• 129Y83
• 1,2-Dihexadecanoyl-sn-glycero-3-phosphorylcholine
• Phosphatidylcholine(32:0)
• 1,2-Dipalmitoyl-3-sn-phosphatidylcholine
• Dipalmitoyl-phosphatidylcholine
• 319X2NFW0A
• Dipalmitoyl glycerophosphocholine
• DTXSID5046720
• CHEBI:72999
• Phosphatidylcholine(16:0/16:0)
• 1-16:0-2-16:0-phosphatidylcholine
• L-a-Dipalmitoyl lecithin
• (2-{[(2R)-2,3-bis(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
• 16:0-16:0-PC
• Choline hydroxide, dihydrogen phosphate, inner salt, ester with L-1,2-dipalmitin
• 129-Y-83
• MFCD00036903
• PC 32:0
• 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-((1-oxohexadecyl)oxy)-, hydroxide, inner salt, 4-oxide, (R)-
• C40H80NO8P
• L-Dipalmitoyl lecithin
• 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE
• UNII-319X2NFW0A
• 1,2-dipalmitoyl-sn-glycero-3-Phosphatidylcholine
• 1,2-dipalmitoyl-phosphatidylcholine
• dipalmitoyl-GPC
• Colfoscerilpalmitat
• Colfoscerili palmitas [INN-Latin]
• Colfoscerilpalmitate
• L-alpha-DPPC
• EINECS 200-567-6
• Palmitate de colfosceril [INN-French]
• Colfosceril palmitate [USAN:INN:BAN]
• L-a-Dipalmitoylecithin
• L-a-Dipalmitoyllecithin
• Palmitato de colfoscerilo [INN-Spanish]
• L-a-DPPC
• sn-3-Dipalmitoyllecithin
• Dipalmitoyl-L-a-lecithin
• L-alpha-Dipalmitoylecithin
• NCGC00167568-01
• L-alpha-Dipalmitoyllecithin
• COLFOSCERIL [VANDF]
• Dipalmitoyl-L-alpha-lecithin
• SCHEMBL24980
• L-b,g-Dipalmitoyl-a-lecithin
• MLS000028586
• SURFAXIN COMPONENT DPPC
• 1,2-Dipalmitoyl-L-a-lecithin
• L-1,2-Dipalmitoyl-a-lecithin
• L-a-1,2-Dipalmitoyl lecithin
• CHEMBL1200737
• DTXCID3026720
• b,g-Dipalmitoyl-L-(a)-lecithin
• DPPC;L-,-Dipalmitoyl--lecithin
• LUCINACTANT COMPONENT DPPC
• L-a-Dipalmitoylphosphatidylcholine
• L-b,g-Dipalmitoyl-alpha-lecithin
• phosphatidylcholine 16:0/16:0
• 1,2-Dipalmitoyl-L-alpha-lecithin
• Colfosceril palmitate (USAN/INN)
• COLFOSCERIL PALMITATE [MI]
• HMS2231H14
• HMS3650O14
• L-1,2-Dipalmitoyl-alpha-lecithin
• L-alpha-1,2-Dipalmitoyl lecithin
• COLFOSCERIL PALMITATE [INN]
• Dipalmitoyl L-a-phosphatidylcholine
• Dipalmitoyl-L-a-phosphatidylcholine
• AMY37583
• L-b,g-Dipalmitoylphosphatidylcholine
• COLFOSCERIL PALMITATE [USAN]
• Dipalmitoyl-sn-3-phosphatidylcholine
• Tox21_112563
• b,g-Dipalmitoyl-L-phosphatidylcholine
• COLFOSCERIL PALMITATE [VANDF]
• L-1,2-Dipalmitoylphosphatidylcholine
• L-alpha-Dipalmitoylphosphatidylcholine
• LMGP01010564
• [(2R)-2,3-di(hexadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
• 1,2-Dipalmitoyl-L-phosphatidylcholine
• AKOS016013969
• COLFOSCERIL PALMITATE [WHO-DD]
• Dipalmitoyl L-alpha-phosphatidylcholine
• Dipalmitoyl-L-alpha-phosphatidylcholine
• 1,2-Dipalmitoyl-sn-phosphatidylcholine
• 1,2-L-a-Dipalmitoylphosphatidylcholine
• b,g-Dipalmitoyl L-a-phosphatidylcholine
• DB09114
• L-b,g-Dipalmitoyl-a-phosphatidylcholine
• (R)-(4-Oxido-10-oxo-7-palmitoyl-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium 4-oxide
• 1,2-Dipalmitoylglycero-3-phosphocholine
• CAS-63-89-8
• 1,2-Dipalmitoyl-L-3-phosphatidylcholine
• 1,2-Dipalmitoyl-L-a-phosphatidylcholine
• 1,2-Dipalmitoyl-sn-glycerophosphocholine
• Dipalmitoyl-L-3-glycerylphosphorylcholine
• Dihexadecanoyl-sn-glycero-3-phosphocholine
• SMR000058951
• 1,2-L-alpha-Dipalmitoylphosphatidylcholine
• COLFOSCERIL PALMITATE [ORANGE BOOK]
• 1,2-Dipalmitoyl-L-alpha-phosphatidylcholine
• 1,2-Dipalmitoyl-sn-3-glycerophosphocholine
• 1,2-Dipalmitoyl-sn-glycerophosphorylcholine
• b,g-Dipalmitoyl L-alpha-phosphatidylcholine
• GPC(16:0/16:0)
• HY-109506
• L-b,g-Dipalmitoyl-alpha-phosphatidylcholine
• CS-0031214
• D3925
• 1,2-Dipalmitoyl-sn-glycerol-3-phosphocholine
• 1,2-Dipalmitoyl-sn-glyceryl-3-phosphocholine
• D03585
• DIPALMITOYL GLYCEROPHOSPHOCHOLINE [INCI]
• H10481
• OP0201 COMPONENT COLFOSCERIL PALMITATE
• 1,2-Bis(palmitoyl)-sn-glycero-3-phosphocholine
• EN300-7365657
• OP-0201 COMPONENT COLFOSCERIL PALMITATE
• 1,2-Bis(hexadecanoyl)-sn-glycero-3-phosphocholine
• 1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylcholine
• Q5144764
• EXOSURF NEONATAL COMPONENT COLFOSCERIL PALMITATE
• 1.2 DIPALMITOYL-SN-GLYCERO-3-PHOSPHATIDYLCHOLINE
• COLFOSCERIL PALMITATE COMPONENT OF EXOSURF NEONATAL
• 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, >=99% (TLC)
• 1.2 DIPALMITOYL-SN-GLYCERO-3-PHOSPHATIDYLCHOLINE (DPPC)
• (R)-2,3-bis(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
• 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine, semisynthetic, >=99%
• (2-{[2.3-bis(hexadecanoyloxy)propyl phosphono]oxy}ethyl)trimethylazanium
• (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
• (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
• 16:0 PC (DPPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine, powder
• 2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium
• (R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium 4-oxide hydroxide inner salt
• (R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-Trioxa-4-phosphapentacosan-1-aminium 4-oxide inner salt

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL4666	Q13285	Steroidogenic factor 1	850 nM	Ki	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	97.45%	99.17%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	97.32%	97.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.83%	96.09%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	94.59%	95.17%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	94.32%	92.86%
CHEMBL2581	P07339	Cathepsin D	94.04%	98.95%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	92.40%	85.94%
CHEMBL321	P14780	Matrix metalloproteinase 9	90.42%	92.12%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	90.27%	92.08%
CHEMBL5255	O00206	Toll-like receptor 4	89.57%	92.50%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	86.68%	91.81%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.34%	93.56%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	84.20%	100.00%
CHEMBL202	P00374	Dihydrofolate reductase	83.29%	89.92%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	83.19%	96.90%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	83.12%	94.33%
CHEMBL340	P08684	Cytochrome P450 3A4	82.61%	91.19%
CHEMBL299	P17252	Protein kinase C alpha	81.80%	98.03%
CHEMBL4227	P25090	Lipoxin A4 receptor	81.10%	100.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.98%	96.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	80.83%	100.00%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	80.38%	80.33%
CHEMBL3401	O75469	Pregnane X receptor	80.23%	94.73%

Plants that contains it

• Lycoris radiata

Cross-Links

• PubChem: 452110
• LOTUS: LTS0194924
• wikiData: Q5144764