NAV

1,​2-​Dioleoyl-​sn-​glycero-​3-​phospho-​L-​serine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
1,​2-​Dioleoyl-​sn-​glycero-​3-​phospho-​L-​serine
DrugBank Accession Number
DB18573
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 788.057
Monoisotopic: 787.536334714
Chemical Formula
C42H78NO10P
Synonyms
  • 1,2-dioleoyl-sn-glycero-3-phospho-l-serine
  • 4,6,10-trioxa-5-phosphaoctacos-19-enoic acid, 2-amino-5-hydroxy-11-oxo-8-(((9z)-1-oxo-9-octadecen-1-yl)oxy)-, 5-oxide, (2s,8r,19z)-
  • Dioleoyl phosphatidylserine
  • L-serine, 2,3-bis((1-oxo-9-octadecenyl)oxy)propyl hydrogen phosphate (ester), (r-(z,z))-
External IDs
  • DOPS, R-
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
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Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
KJ401H4834
CAS number
70614-14-1
InChI Key
WTBFLCSPLLEDEM-JIDRGYQWSA-N
InChI
InChI=1S/C42H78NO10P/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/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/b19-17-,20-18-/t38-,39+/m1/s1
IUPAC Name
(2S)-2-amino-3-({[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)propanoic acid
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC

References

General References
Not Available
Human Metabolome Database
HMDB0012390
ChemSpider
4943103
ChEBI
60568
ChEMBL
CHEMBL4165044
ZINC
ZINC000085588324
PDBe Ligand
17F
PDB Entries
2msc / 2msd / 2mse / 4hyt / 4res / 4ret / 6cc9 / 6cch / 6ccx / 6pts …
show 7 more

Clinical Trials

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PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP10.9Chemaxon
pKa (Strongest Acidic)1.81Chemaxon
pKa (Strongest Basic)9.38Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area171.68 Å2Chemaxon
Rotatable Bond Count42Chemaxon
Refractivity217.47 m3·mol-1Chemaxon
Polarizability94.15 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 03, 2023 18:55 / Updated at October 03, 2023 22:09