L-Homocysteine
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L-Homocysteine
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CAS No:
6027-13-0
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Formula:
C4H9NO2S
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Chemical Name:
L-Homocysteine
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Synonyms:
L-Homocysteine;Butyric acid,2-amino-4-mercapto-,L-;Butanoic acid,2-amino-4-mercapto-,(S)-;2-Amino-4-mercapto-L-butyric acid;Homocysteine;(S)-2-Amino-4-mercaptobutanoic acid;(S)-Homocysteine;2-Amino-4-mercaptobutyric acid;NSC 43117;454-28-4;1867-00-1
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CAS No:
Description
L-Homocysteine, a homocysteine metabolite, is a homocysteine that has L configuration. L-Homocysteine induces upregulation of cathepsin V that mediates vascular endothelial inflammation in hyperhomocysteinaemia[1][2].
Solid
L-homocysteine is a homocysteine that has L configuration. It has a role as a mouse metabolite. It is a homocysteine and a serine family amino acid. It is a conjugate acid of a L-homocysteinate. It is a tautomer of a L-homocysteine zwitterion.|Homocysteine is a thiol-containing amino acid formed by a demethylation of methionine.|Homocysteine is an amino acid derivative and homolog of cysteine containing an additional methylene bridge. Homocysteine is a product of methionine metabolism and elevated plasma levels are associated with cardiovascular disease, Alzheimer disease and several metabolic diseases.|A thiol-containing amino acid formed by a demethylation of METHIONINE.
Characteristics
64.3
-3.4
Solid
1.3±0.1 g/cm3
232.5 °C
299.7°C at 760 mmHg
135.0±25.9 °C
1.538
148 mg/mL
-20°C
130.53 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|159.62 Ų [M-H]- [CCS Type: DT, Method: stepped-field]|124 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|130.3 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|143.6 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|127.6 Ų [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Safety Information
NONH for all modes of transport
3
22
22-24/25
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.
L-Homocysteine Use and Manufacturing
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.
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
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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