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Palmitoleoyl-CoA lithium

CAT: 0013-GTR19236233-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236233-01Size:10 mg
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Description
Palmitoleoyl-CoA lithium salt is a research compound used to study fatty acid metabolism, particularly mitochondrial β-oxidation. It serves as a tool to investigate AMPK regulation via the β1-isoform and mechanisms of lipid-induced mitochondrial permeability transition in cardiac dysfunction models, applicable in both in vitro and ex vivo experimental systems.
CAS Number
324518-22-1
Smiles
O[C@H]1[C@H] (N2C=3C (N=C2) =C (N) N=CN3) O[C@H] (COP (OP (OCC ([C@H] (C (NCCC (NCCSC (CCCCCCC/C=C\CCCCCC) =O) =O) =O) O) (C) C) (=O) O) (=O) O) [C@H]1OP (=O) (O) O.[Li]
Molecular Formula
C37H64N7O17P3S.xLi
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 172653137
CAS Number324518-22-1
PubChem CID172653137
Molecular FormulaC37H64LiN7O17P3S
Molecular Weight1010.9
Topological Polar Surface Area389
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count33
Heavy Atom Count66
Formal Charge0
Complexity1670
SMILES
[Li].CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI
InChI=1S/C37H64N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44;/h9-10,24-26,30-32,36,47-48H,4-8,11-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);/b10-9-;/t26-,30-,31-,32+,36-;/m1./s1
InChIKey
QZNXIQQCDMXRBX-OGXPDRCCSA-N
Chemical Structure
2D Structure
2D structure of CID 172653137
CAS: 324518-22-1
CID: 172653137
Formula: C37H64LiN7O17P3S
MW: 1010.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1010.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count22
Rotatable Bond Count33
Exact Mass1010.34522920
Monoisotopic Mass1010.34522920
Topological Polar Surface Area389 Ų
Heavy Atom Count66
Formal Charge0
Complexity1670
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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HY-137782BPalmitoleoyl-CoA (lithium)
T88807-01Palmitoleoyl-CoA lithium
sc-215666APalmitoleoyl coenzyme A lithium salt
HY-136408-01Malonyl CoA (lithium)
HY-135024APhenylacetyl CoA (lithium)
T88954-01Pimeloyl-CoA lithium
HY-142080APimeloyl-CoA (lithium)
M36579-01Palmitoyl CoA lithium
HY-179170SMalonyl CoA-13C3 (lithium)
C7505-51-01Coenzyme A, Lithium Salt (CoA, CoASH, HSCoA)

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