DL-homocysteine

DL-homocysteine bmse000430 - Data

DL-homocysteine synonyms

D,L-Homocysteine; (2S)-2-amino-4-sulfanylbutanoic acid; HOMO-CYS; Butyric acid, 2-amino-4-mercapto-, DL-; 2-Amino-4-Mercapto-Butyric Acid; L-Homocysteine; 2-amino-4-sulfanylbutanoic acid; dl-Homocysteine; (+-)-Homocysteine; Hcy; homocysteine

Wikipedia:

Graphical representations:

DL-homocysteine

View large 3D structure

Molecular Formula: C4H9NO2S

Natural Isotopic Abundance Mass: 135.18476

Mono-Isotopic Molecular Masses:

  • C12N14: 135.0353992283
  • C13N14: 139.0488185795
  • C12N15: 136.0324341215
  • C13N15: 140.0458534727

InChI string: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m1/s1

PubChem Compound (CID): 778
CAS Registry number: 6681-97-6 454-28-4 454-29-5
Sigma-Aldrich: H4628_SIGMA
ChEBI: CHEBI:17230
BioCyc: HOMO-CYS
ChemIDplus: 000454295
ChemSpider: 13860132
EINECS: 207-222-9
NIST: 1709797319
CambridgeSoft Corporation: 4510
DrugBank: DB04422
KEGG Compound ID: C05330
ChemDB: 6681976
PDB Compound ID: HCS

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)