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6382-01-0 molecular structure
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potassium (4S)-4-amino-4-carboxybutanoate hydrate

ChemBase ID: 134148
Molecular Formular: C5H10KNO5
Molecular Mass: 203.2349
Monoisotopic Mass: 203.01960411
SMILES and InChIs

SMILES:
C(CC(=O)[O-])[C@@H](C(=O)O)N.O.[K+]
Canonical SMILES:
[O-]C(=O)CC[C@@H](C(=O)O)N.O.[K+]
InChI:
InChI=1S/C5H9NO4.K.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1
InChIKey:
XIBUKSQTWSKJMQ-QTNFYWBSSA-M

Cite this record

CBID:134148 http://www.chembase.cn/molecule-134148.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium (4S)-4-amino-4-carboxybutanoate hydrate
IUPAC Traditional name
potassium (4S)-4-amino-4-carboxybutanoate hydrate
Synonyms
L-α-Aminoglutaric acid potassium salt
Glu
L-Glutamic acid potassium salt monohydrate
Monopotassium glutamate monohydrate
Potassium L-glutamate
L-Glutamic acid monopotassium salt monohydrate
(S)-2-氨基戊二酸
L-2-氨基戊二酸 钾盐
L-谷氨酸钾
L-谷氨酸 钾盐 一水合物
L-谷氨酸单钾盐单水合物
L-谷氨酸 单钾盐 一水合物
CAS Number
6382-01-0
MDL Number
MFCD00150343
Beilstein Number
3637377
PubChem SID
162228425
24895045
24873010
24895063
PubChem CID
23695977

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23695977 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8777773  H Acceptors
H Donor LogD (pH = 5.5) -4.4458017 
LogD (pH = 7.4) -6.180975  Log P -3.241447 
Molar Refractivity 42.1248 cm3 Polarizability 12.57248 Å3
Polar Surface Area 103.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
white powder expand Show data source
Melting Point
115-118°C expand Show data source
Optical Rotation
[α]20/D +23±1°, c = 5% in 5 M HCl expand Show data source
RTECS
MA1450000 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
TSCA Listed
expand Show data source
GHS Hazard statements
H303 expand Show data source
GHS Precautionary statements
P312 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Gene Information
human ... GRIK1(2897), GRIK2(2898), GRIK3(2899), GRIK4(2900), GRIN1(2902), GRIN2A(2903), GRIN2B(2904), GRIN2C(2905), GRIN2D(2906), GRIN3A(116443), GRIN3B(116444), GRINA(2907)mouse ... GRIK1(14805), GRIK2(14806), GRIK3(14807), GRIK4(110637), GRIN1(14810), GRIN2A(14811), GRIN2B(14812), GRIN2C(14813), GRIN2D(14814), GRIN3A(242443), GRIN3B(170483), GRINA(66168)rat ... GRIK1(29559), GRIK2(54257), GRIK3(298521), GRIK4(24406), GRIN1(24408), GRIN2A(24409), GRIN2B(24410), GRIN2C(24411), GRIN2D(24412), GRIN3A(191573), GRIN3B(170796), GRINA(266668) expand Show data source
Purity
≥99% (TLC) expand Show data source
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
Grade
puriss. p.a. expand Show data source
Suitability
suitable for insect cell culture expand Show data source
Impurities
≤0.5% foreign amino acids expand Show data source
Cation Traces
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤500 mg/kg expand Show data source
NH4+: ≤200 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤100 mg/kg expand Show data source
sulfate (SO42-): ≤100 mg/kg expand Show data source
Linear Formula
KOOCCH2CH2CH(NH2)COOH · H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G1149 external link
Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate receptors; an excitatory amino acid neurotransmitter.
Sigma Aldrich - G1501 external link
Biochem/physiol Actions
Agonist at kainate, NMDA, and quisqualate receptors; an excitatory amino acid neurotransmitter.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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