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6027-13-0

6027-13-0 Structure

6027-13-0 Structure
IdentificationMore
[Name]

L-HOMOCYSTEINE
[CAS]

6027-13-0
[Synonyms]

BUTANOIC ACID, 2-AMINO-4-MERCAPTO-, (S)-
BUTYRIC ACID, 2-AMINO-4-MERCAPTO-, L-
L-HOMOCYSTEINE
(S)-2-AMINO-4-MERCAPTOBUTANOIC ACID
(S)-HOMOCYSTEINE
H-Hcys-OH
(S)-2-Amino-4-(methylmercapto)butanoic acid
Butyric acid, 2-amino-4-(methylthio)-, L-
(S)-Homocysteine, (S)-2-Amino-4-mercaptobutanoic acid
S-Methyl-L-homocysteine
(S)-2-Amino-4-mercaptobutyric acid
[EINECS(EC#)]

227-891-0
[Molecular Formula]

C4H9NO2S
[MDL Number]

MFCD00151320
[Molecular Weight]

135.18
[MOL File]

6027-13-0.mol
Chemical PropertiesBack Directory
[Appearance]

Colourless or nearly colourless solid
[Melting point ]

232°C
[Boiling point ]

299.7±35.0 °C(Predicted)
[density ]

1.149 (estimate)
[refractive index ]

1.5480 (estimate)
[storage temp. ]

-20°C
[solubility ]

Aqueous Acid (Sparingly, Heated, Sonicated), Water (Slightly, Heated)
[form ]

solid
[pka]

2.24±0.10(Predicted)
[color ]

White to Off-White
[Optical Rotation]

[α]/D 25.5±1.5°, c = 1 in 1 M HCl
[Stability:]

Air Sensitive, Hygroscopic
[InChI]

InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
[InChIKey]

FFFHZYDWPBMWHY-VKHMYHEASA-N
[SMILES]

C(O)(=O)[C@H](CCS)N
[CAS DataBase Reference]

6027-13-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H413-H372
[Precautionary statements ]

P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[HS Code ]

29309090
[Toxicity]

mouse,LD50,intraperitoneal,> 1082mg/kg (1082mg/kg),Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1419, 1974.
Hazard InformationBack Directory
[Chemical Properties]

Colourless or nearly colourless solid
[Uses]

L-Homocysteine is the hydrolysis product of adenosine (A280400), a purine nucleoside. Metabolic fate of L-Homocysteine is converted back to L-Methionine( M260440) via tetrahydrofolate.
[Definition]

ChEBI: Homocysteine with L configuration.
[General Description]

L-homocysteine is used to diagnose homocystinuria.
[Biochem/physiol Actions]

Elevated homocysteine levels in plasma and tissue are associated with brain atrophy in Alzheimer′s disease as well as in healthy eldery subjects. Increased homocysteine is due to deficiencies in vitamin B status, specifically folate, B6 and B12 vitamins, which act as cofactors for enzymes involved in homocysteine metabolism.
[storage]

4°C, protect from light, stored under nitrogen
[Purification Methods]

Crystallise L-homocysteine from aqueous EtOH. All operations should be carried out under N2 as the thiol readily oxidizes in air. The acid (3g) is dissolved in freshly boiled H2O (
Spectrum DetailBack Directory
[Spectrum Detail]

L-HOMOCYSTEINE(6027-13-0)1HNMR
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