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18:1 (Δ9-Trans) PE

CAT: 0931-TCL-00231-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TCL-00231-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19805-18-6
Bioactivity
18:1 (Δ9-Trans) PE is a reagent used in biochemical reactions.
Smiles
CCCCCCCC/C=C/CCCCCCCC(O[C@@H](COP(OCCN)(O)=O)COC(CCCCCCC/C=C/CCCCCCCC)=O)=O
Molecular Formula
C41H78NO8P
Molecular Weight
744.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PE(18:1(9E)/18:1(9E))

1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9E)-octadecenoyl. It has a role as a mouse metabolite.

CAS Number19805-18-6
PubChem CID9546744
IUPAC Name[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
Molecular FormulaC41H78NO8P
Molecular Weight744.0
XLogP10.6
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count41
Heavy Atom Count51
Formal Charge0
Complexity897
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC
InChI
InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17+,20-18+/t39-/m1/s1
InChIKey
MWRBNPKJOOWZPW-GPADLTIESA-N
Chemical Structure
2D Structure
2D structure of PE(18:1(9E)/18:1(9E))
CAS: 19805-18-6
CID: 9546744
Formula: C41H78NO8P
MW: 744.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight744.0
XLogP310.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count41
Exact Mass743.54650544
Monoisotopic Mass743.54650544
Topological Polar Surface Area134 Ų
Heavy Atom Count51
Formal Charge0
Complexity897
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-W58387018:1 (Δ9-Trans) PE
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sc-251288Trans, trans, trans-1,5,9-Cyclododecatriene
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GTR19248754-0114:1 (Δ9-Trans) PC
C29730Cis, trans, trans-1,5,9-Cyclododecatriene 92%
HY-CE007842-trans-9,12,15,18-all-cis-Tetracosapentaenoyl-CoA
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