Basic information
- CAS
5281-50-5- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC- InChIKey
SDNYRTVJOFMYIW-OIVUAWODSA-N- Molecular formula
- C55H106O6
- Average molar mass
- 863.4 g/mol
- Monoisotopic mass
- 862.7989411
Overview
1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol is a triacyl-sn-glycerol in which the which the acyl groups at position 1 is specified as hexadecanoyl, while those at positions 2 and 3 are specified as octadecanoyl. It has a role as a human blood serum metabolite.
Names & identifiers
- Preferred name
- 1-Hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol
- IUPAC
- [(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] octadecanoate
- English name
- 1,2-Dioctadecanoyl-3-hexadecanoyl-rac-glycerol
- Molecular formula
- C55H106O6
- Molecular weight
- 863.43
Names & synonyms
1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerolTG(16:0/18:0/18:0)CHEBI:109896RefChem:935081[(2R)-3-hexadecanoyloxy-2-octadecanoyloxypropyl] octadecanoateTG 52:0(2R)-3-(hexadecanoyloxy)propane-1,2-diyl dioctadecanoateLMGL03010069beta-2 PSSSCHEMBL30643179DTXSID90337958SDNYRTVJOFMYIW-OIVUAWODSA-N
Show more names
1,2-STEARIN-3-PALMITINGLYCERYL-1,2-STEARATE-3-PALMITATE1,2-DISTEAROYL-3-PALMITOYL-RAC-GLYCEROLglyceryl 1,2-rac-distearate-3-palmitate1,2-Dioctadecanoyl-3-hexadecanoyl-rac-glycerol
1-palmitoylglycerol-2,3-distearoyl1-palmitoyl-2,3-distearoyl-sn-glycerolTG 16:0/18:0/18:0 [iso3]TG(16:0/18:0/18:0)[iso3]Q27189234TG(18:0/18:0/16:0)TG(52:0); TG(16:0_18:0_18:0)
Database identifiers
- CAS
5281-50-5- PubChem CID
- 545690
Properties
Computed structural properties
- XLogP
- 24.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 54
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 905
Experimental & physicochemical properties
Lipids
Lipids -> Ambiguous Lipids
Lipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Physical DescriptionSolid
Collision Cross Section
324.9 Ų [M+NH4]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids]
321.02 Ų [M+Na]+ [CCS Type: TIMS; Method: single field calibrated]
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
Uses1,2-Distearoyl-3-palmitoyl-rac-glycerol is a component of various vegetable oil.
Suppliers7 total
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
湖北艾普蒂生物工程有限公司17762444226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: 1-hexadecanoyl-2,3-dioctadecanoyl-sn-glycerol is a triacyl-sn-glycerol in which the which the acyl groups at position 1 is specified as hexadecanoyl, while those at positions 2 and 3 are specified as octadecanoyl It has a role as a human blood serum metabolite.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…