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18:0-22:6 DG

CAT: 0931-T72929-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72929-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65886-80-8
Target
Others, Liposome, p38 MAPK
Related Pathways
Others, Metabolism, MAPK
Bioactivity
1-Stearoyl-2-docosahexaenoyl-sn-glycerol (18:0-22:6 DG) is a diacylglycerol capable of binding to RasGRP and modulating the activation of MAP kinases.
Smiles
[C@@H](OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)CO
Molecular Formula
C43H72O5
Molecular Weight
669.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Stearoyl-2-docosahexaenoyl-sn-glycerol

1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol is a 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has a role as a calcium channel agonist and a protein kinase C agonist. It is functionally related to an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid and an octadecanoic acid.

CAS Number65886-80-8
PubChem CID9543881
IUPAC Name[(2S)-1-hydroxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Molecular FormulaC43H72O5
Molecular Weight669.0
XLogP14.2
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Heavy Atom Count48
Formal Charge0
Complexity895
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H72O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1
InChIKey
LBDXVTOFXXDOGH-KXYFHQNYSA-N
Chemical Structure
2D Structure
2D structure of 1-Stearoyl-2-docosahexaenoyl-sn-glycerol
CAS: 65886-80-8
CID: 9543881
Formula: C43H72O5
MW: 669.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight669.0
XLogP314.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count36
Exact Mass668.53797539
Monoisotopic Mass668.53797539
Topological Polar Surface Area72.8 Ų
Heavy Atom Count48
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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