2,3-Dipalmitoyl-sn-glycerol
PubChem CID
10218498
Structure
Molecular Formula
Synonyms
- 2,3-Dipalmitoyl-sn-glycerol
- 6076-30-8
- [(2R)-2-hexadecanoyloxy-3-hydroxypropyl] hexadecanoate
- CHEBI:77394
- (2r)-3-Hydroxypropane-1,2-Diyl Dihexadecanoate
Molecular Weight
568.9 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2006-10-25
- Modify:2025-01-11
Description
2,3-dipalmitoyl-sn-glycerol is a 2,3-diacyl-sn-glycerol in which both acyl groups are specified as palmitoyl (hexadecanoyl). It is functionally related to a hexadecanoic acid.
Chemical Structure Depiction
Conformer generation is disallowed since too flexible
IUPAC Condensed
DG(0:0/16:0/16:0)
IUPAC
O2,O3-dipalmitoyl-sn-glycerol
[(2R)-2-hexadecanoyloxy-3-hydroxypropyl] hexadecanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m1/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
JEJLGIQLPYYGEE-MGBGTMOVSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C35H68O5
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 2,3-Dipalmitoyl-sn-glycerol
- 6076-30-8
- [(2R)-2-hexadecanoyloxy-3-hydroxypropyl] hexadecanoate
- CHEBI:77394
- (2r)-3-Hydroxypropane-1,2-Diyl Dihexadecanoate
- 2,3-dipalmitin
- 2 3-DIPALMITOYL-SN-GLYCEROL*
- CHEMBL86122
- 2,3-dihexadecanoyl-sn-glycerol
- SCHEMBL2038585
- HY-W127529
- SN-1,2-DIPALMITOYL DIACYLGLYCEROL
- (R)-3-Hydroxypropane-1,2-diyl dipalmitate
- CS-0185756
- DG 0:0/16:0/16:0
- Q27146928
- 4AG
- Hexadecanoic Acid (1R)-1-(Hydroxymethyl)-1,2-ethanediyl Ester; (R)-Hexadecanoic Acid 1-(Hydroxymethyl)-1,2-ethanediyl Ester; D-1,2-Di-palmitin; (R)-1,2-Dipalmitin; 2,3-O-Dipalmitoyl-sn-glycerol; Hexadecanoic Acid 1,1'-[(1R)-1-(Hydroxymethyl)-1,2-ethanediyl] Ester
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
568.9 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
14
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
34
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
568.50667527 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
568.50667527 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
72.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
40
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
536
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Protein Structures Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JEJLGIQLPYYGEE-MGBGTMOVSA-N
- ChEBI2,3-dipalmitoyl-sn-glycerolhttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:77394
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- FooDBLICENSEFooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.https://foodb.ca/aboutDG(16:0/16:0/0:0)https://foodb.ca/compounds/FDB024292
- Japan Chemical Substance Dictionary (Nikkaji)
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Rhea - Annotated Reactions DatabaseLICENSERhea has chosen to apply the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/). This means that you are free to copy, distribute, display and make commercial use of the database in all legislations, provided you credit (cite) Rhea.https://www.rhea-db.org/help/license-disclaimer
- Springer Nature
- Wikidata2,3-dipalmitoyl-sn-glycerolhttps://www.wikidata.org/wiki/Q27146928
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 393722076https://pubchem.ncbi.nlm.nih.gov/substance/393722076
CONTENTS