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HMBPP lithium

CAT: 0013-GTR19265962-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19265962-02Size:50 mg
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Description
HMBPP lithium is an intermediate in isoprene biosynthesis, produced by bacteria and protozoa using the non-mevalonate pathway. It serves as a ligand for the inner domain of BTN3A1 and acts as an activator of human Vγ9/Vδ2T cells. Additionally, HMBPP lithium stimulates feeding behavior in mosquitoes.
CAS Number
396726-03-7
Smiles
P (OC/C=C (/CO) \C) (OP (=O) (O) O) (=O) O
Molecular Formula
C5H12O8P2
Molecular Weight
262.09
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(4-Hydroxy-3-methylbut-2-enoxy)-oxidophosphoryl] phosphate
CAS Number396726-03-7
PubChem CID25244663
IUPAC Name[(4-hydroxy-3-methylbut-2-enoxy)-oxidophosphoryl] phosphate
Molecular FormulaC5H9O8P2-3
Molecular Weight259.07
XLogP-2.6
Topological Polar Surface Area142
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge-3
Complexity297
SMILES
CC(=CCOP(=O)([O-])OP(=O)([O-])[O-])CO
InChI
InChI=1S/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/p-3
InChIKey
MDSIZRKJVDMQOQ-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of [(4-Hydroxy-3-methylbut-2-enoxy)-oxidophosphoryl] phosphate
CAS: 396726-03-7
CID: 25244663
Formula: C5H9O8P2-3
MW: 259.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.07
XLogP3-2.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass258.97726624
Monoisotopic Mass258.97726624
Topological Polar Surface Area142 Ų
Heavy Atom Count15
Formal Charge-3
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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