Homocysteic acid
Basic information
- CAS
1001-13-4- Standard SMILES
NC(CCS(=O)(=O)O)C(=O)O- InChIKey
VBOQYPQEPHKASR-UHFFFAOYSA-N- Molecular formula
- C4H9NO5S
- Average molar mass
- 183.19 g/mol
- Monoisotopic mass
- 183.02014356
Overview
Homocysteic acid is a non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group has benn oxidised to the corresponding sulfonic acid. It is an amino sulfonic acid, a carboxyalkanesulfonic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a homocysteine.
Names & identifiers
- Preferred name
- Homocysteic acid
- IUPAC
- 2-amino-4-sulfobutanoic acid
- English name
- DL-Homocysteic acid
- Molecular formula
- C4H9NO5S
- Molecular weight
- 183.18
Names & synonyms
Homocysteic acid2-Amino-4-sulfobutyric acid1001-13-4CHEBI:90324(DL)-homocysteic acidRefChem:390733DL-Homocysteic acid2-amino-4-sulfobutanoic acid504-33-6Butanoic acid, 2-amino-4-sulfo-Butyric acid, 2-amino-4-sulfo-H-DL-HoCysteic acid
Show more names
H-CYA-OHDL-HomocysteicAcid>DL-Homocysteicacid,98%DL-Homocysteic acid 97%DL-HoMocysteic-d4 Acid H2O2-Amino-4-sulfobutyricacid2-AMINO-4-SULPHOBUTYRIC ACID
MFCD00007536DL-2-Amino-4-sulfobutyric acidEINECS 207-991-0HOMOCYSTEIC ACID, DL-2-amino-4-sulfo-butanoic acidDTXSID00864543C4H9NO5SHYA2G5T79L
Database identifiers
- CAS
1001-13-4、504-33-6- PubChem CID
- 92117
- DTXSID
DTXSID00864543- ChEBI
CHEBI:90324- UNII
- HYA2G5T79L
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionWhite odorless powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 273 °C · 273 °C (dec.) (lit.)
- Density
- 1.638 · 1.638
- refractive index
- 1.548 · 1.5480 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 50 mg/mL, · water: soluble50mg/mL, clear to slightly hazy, colorless to yellow
- form
- solid
- pka
- 1.4 · 1.40±0.50(Predicted)
- color
- White to Almost white
- Water Solubility
- 50 mg/mL, · water: soluble 50mg/mL, clear to slightly hazy, colorless to yellow
- BRN
- 1783391 · 1783391
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryCauses elevated blood pressure, respiratory depression, and lung changes in acute intracerebral studies of cats; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Safety data
- wgk
- 3
- rtecs
- EK7713877
- hs_code
- 2922.49.8000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
UsesUsed in proteomics research; [Santa Cruz Biotech]
Applications
Uses2-amino-4-sulfobutanoic acid is an alanine derivative[1].
General DescriptionComplexes of DL-homocysteic acid with Na+, Cu2+, Zn2+ and Ni2+ has been synthesized. DL-Homocysteic acid induces oxidative stress in brain of immature rats.
Additional notes
DefinitionChEBI: Homocysteic acid is a non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group has benn oxidised to the corresponding sulfonic acid. It is an amino sulfonic acid, a carboxyalkanesulfonic acid and a non-proteinogenic alpha-amino acid. It is functionally related to a homocysteine.
Related reactions
2 records
Compound notes
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