General Information of the Compound
Compound ID
CP0902638
Compound Name
Hydroxypyruvic acid
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Synonyms
1113-60-6
3-Hydroxy-2-oxopropanoic acid
3-Hydroxypyruvic Acid
3-Hydroxypyruvic acid
3-hydroxypyruvate
3PY
4mfe
934B2KHY0S
AC1L1AFB
AKOS006378194
C00168
CHEBI:30841
CS-0059352
CTK8A1122
DB02951
DTXSID40149588
HY-113013
J-002568
MolPort-006-168-729
OH-pyr
OH-pyruvate
SCHEMBL60708
UNII-934B2KHY0S
ZINC1532558
beta-Hydoxypyruvic acid
beta-Hydroxypyruvate
beta-Hydroxypyruvic acid
beta-Hydroxypyruvic acid, >=95.0% (dry substance, T)
hydroxypyruvate
hydroxypyruvic acid
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Structure
Formula
C3H4O4
Molecular Weight
104.061
Canonical SMILES
O=C(O)C(=O)CO
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InChI
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
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InChIKey
HHDDCCUIIUWNGJ-UHFFFAOYSA-N
CAS
1113-60-6
Physicochemical Property
logP
-1.3676
Rotatable Bonds
2
Heavy Atom Count
7
Polar Areas
74.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
7

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 964
SID: 15119715
ChEMBL ID
CHEMBL1230192
DrugBank ID
DB02951
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06470, Olfactory receptor 51E2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000966 Hana3A
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 420 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-Hydroxypyruvic Acid )
Drug Name 3-Hydroxypyruvic Acid