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L-Homocysteine

L-Homocysteine structure

CAS No:
6027-13-0
Formula:
C4H9NO2S
Chemical Name:
L-Homocysteine
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
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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.

L-Homocysteine Basic Attributes

Molecular Weight：

135.18

Exact Mass：

135.18

EC Number：

227-891-0

UNII：

0LVT1QZ0BA

DSSTox ID：

DTXSID3041039

NCI Thesaurus Code：

C105949

HScode：

29309090

Characteristics

PSA：

64.3

XLogP3：

-3.4

Appearance：

Solid

Density：

1.3±0.1 g/cm3

Melting Point：

232.5 °C

Boiling Point：

299.7°C at 760 mmHg

Flash Point：

135.0±25.9 °C

Refractive Index：

1.538

Water Solubility：

148 mg/mL

Storage Conditions：

-20°C

Collision Cross Section：

130.53 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|159.62 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|124 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|130.3 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|143.6 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|127.6 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

22-24/25

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|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.

Drug Information

MeSH Entry Terms：

2 amino 4 mercaptobutyric acid

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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L-Homocysteine

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Guide of L-Homocysteine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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L-Homocysteine

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