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Malonyl Coenzyme A lithium

CAT: 0931-T38473-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T38473-01Size:25 mg
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CAS Number
108347-84-8
Target
Mitochondrial Metabolism, CPT
Related Pathways
Metabolism
Bioactivity
Malonyl Coenzyme A lithium (Malonyl CoA lithium) is an important precursor for the production of a variety of chemicals that modulate insulin-stimulated glucose transport in myotubes.
Smiles
O[C@H]1[C@H](N2C3=NC=NC(N)=C3N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC([O-])=O)=O)=O)=O)O)C)(O)=O)(O)=O)[C@H]1OP(O)(O)=O.[Li+] xLi
Molecular Formula
C24H37N7O19P3S.xLi
Molecular Weight
860.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Malonyl coenzyme A lithium salt

Malonyl-CoA lithium salt is an organic molecular entity. It is functionally related to a coenzyme A.

CAS Number108347-84-8
PubChem CID16219642
Molecular FormulaC24H38LiN7O19P3S
Molecular Weight860.6
Topological Polar Surface Area426
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count24
Rotatable Bond Count22
Heavy Atom Count55
Formal Charge0
Complexity1490
SMILES
[Li].CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O
InChI
InChI=1S/C24H38N7O19P3S.Li/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31;/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41);
InChIKey
OPIJLICRFQMMJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Malonyl coenzyme A lithium salt
CAS: 108347-84-8
CID: 16219642
Formula: C24H38LiN7O19P3S
MW: 860.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight860.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count24
Rotatable Bond Count22
Exact Mass860.13160761
Monoisotopic Mass860.13160761
Topological Polar Surface Area426 Ų
Heavy Atom Count55
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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