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Calcium 2-hydroxypropanoate pentahydrate

CAT: 0931-T205632-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T205632-01Size:10 mg
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CAS Number
5743-47-5
Target
Endogenous Metabolite
Related Pathways
Metabolism
Bioactivity
Calcium 2-hydroxypropanoate (pentahydrate) acts as an activator of the hydroxyl-carboxylic acid receptor 1 (HCAR1) and serves as an epigenetic regulator that induces lysine residue lactylation. This compound, a glycolysis end product, bridges the gap between glycolysis and oxidative phosphorylation and functions as a tumor metabolite with immunoprotective effects of lactate in antitumor immunity.
Smiles
O=C(C(C)O)[O-].O=C(C(C)O)[O-].[Ca+2].O.O.O.O.O
Molecular Formula
C3H5O3.1/2Ca.5/2H2O
Molecular Weight
154.147
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Calcium Lactate Pentahydrate

See also: Calcium Cation (has active moiety).

CAS Number5743-47-5
PubChem CID165341
IUPAC Namecalcium;bis(2-hydroxypropanoate);pentahydrate
Molecular FormulaC6H20CaO11
Molecular Weight308.29
Topological Polar Surface Area126
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity53
SMILES
CC(C(=O)[O-])O.CC(C(=O)[O-])O.O.O.O.O.O.[Ca+2]
InChI
InChI=1S/2C3H6O3.Ca.5H2O/c2*1-2(4)3(5)6;;;;;;/h2*2,4H,1H3,(H,5,6);;5*1H2/q;;+2;;;;;/p-2
InChIKey
HPVJXNNKHRNBOY-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium Lactate Pentahydrate
CAS: 5743-47-5
CID: 165341
Formula: C6H20CaO11
MW: 308.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.29
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count0
Exact Mass308.0631523
Monoisotopic Mass308.0631523
Topological Polar Surface Area126 Ų
Heavy Atom Count18
Formal Charge0
Complexity53.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count8
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-B2227D-01Calcium 2-hydroxypropanoate (pentahydrate)
GTR19249151-01Calcium 2-hydroxypropanoate pentahydrate
L2023-01Leucovorin Calcium Salt Pentahydrate (N-[4-[[ (2-Amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl) methyl]amino]benzoyl]-L-glutamic Acid Calcium Salt, Calcium Levofolinate, Levoleucovorin Calcium, Folinic Acid Calcium Salt)
MBS6113391-01Leucovorin Calcium Salt Pentahydrate (N-[4-[[(2-Amino-5-formyl-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic Acid Calcium Salt, Calcium Levofolinate, Levoleucovorin Calcium, Folinic Acid Calcium Salt)
GE4641-1kgCalcium lactate pentahydrate
sc-482118Calcium folinate pentahydrate
MBS5782272Levomefolate calcium pentahydrate
C01295-01Calcium galactonate pentahydrate
TRC-L330400-5GLeucovorin Calcium Salt Pentahydrate
sc-281633Calcium L-lactate pentahydrate

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