(±)-Homocysteine
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(±)-Homocysteine
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CAS No:
454-29-5
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Formula:
C4H9NO2S
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Chemical Name:
(±)-Homocysteine
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Synonyms:
Homocysteine;Butyric acid,2-amino-4-mercapto-,DL-;DL-Homocysteine;(±)-Homocysteine;NSC 206252;2-Amino-4-sulfanylbutanoic acid;2-Amino-4-mercaptobutyric acid;2-Amino-4-mercaptobutanoic acid;115154-46-6
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CAS No:
Description
DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain.
Homocysteine is a sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain. It has a role as a fundamental metabolite. It is a sulfur-containing amino acid, a member of homocysteines and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a homocysteinate. It is a tautomer of a homocysteine zwitterion.|A thiol-containing amino acid formed by a demethylation of METHIONINE.
Characteristics
64.3
0.22
white powder
1.3±0.1 g/cm3
232-233 °C(lit.)
299.7±35.0 °C at 760 mmHg
>230 °F
1.538
H2O: soluble
2-8°C
0.000278mmHg at 25°C
LD50 intraperitoneal in mouse: 500mg/kg
130.78 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|127.9 Ų [M-2H+Na]-
Safety Information
NONH for all modes of transport
3
22-24/25
MT0175000
Stable. Combustible. Incompatible with strong oxidizing agents.
Computed Properties
Molecular Weight:135.19
XLogP3:-3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:135.03539970
Monoisotopic Mass:135.03539970
Topological Polar Surface Area:64.3
Heavy Atom Count:8
Complexity:86.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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