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Substance Name: Homocysteine
RN: 6027-13-0
UNII: 0LVT1QZ0BA
InChIKey: FFFHZYDWPBMWHY-VKHMYHEASA-N

Note

  • A thiol-containing amino acid formed by a demethylation of METHIONINE.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H9-N-O2-S

Molecular Weight

  • 135.1861
 
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Names and Synonyms

Name of Substance

  • Homocysteine

MeSH Heading

  • Homocysteine

Synonyms

  • 2-Amino-4-mercaptobutyric acid
  • 2-Amino-4-mercaptobutyric acid (VAN)
  • Butanoic acid, 2-amino-4-mercapto- (VAN)
  • Butanoic acid, 2-amino-4-mercapto-, (S)-
  • Butyric acid, 2-amino-4-mercapto-
  • EINECS 227-891-0
  • Homocysteine
  • Homocysteine (VAN)
  • L-Homocysteine
  • NSC 118376
  • NSC 43117
  • UNII-0LVT1QZ0BA

Systematic Names

  • Butyric acid, 2-amino-4-mercapto- (8CI)
  • Butyric acid, 2-amino-4-mercapto-, L- (8CI)
  • Homocysteine
  • L-Homocysteine

Registry Numbers

CAS Registry Number

  • 6027-13-0

FDA UNII

  • 0LVT1QZ0BA

Other Registry Number

  • 454-28-4

System Generated Number

  • 0006027130

Structure Descriptors

InChI

InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1

InChIKey

FFFHZYDWPBMWHY-VKHMYHEASA-N

Smiles

N[C@@H](CCS)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1082mg/kg (1082mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1419, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 232.5 deg C   EXP
pKa Dissociation Constant 2.22 (none)   EXP
log P (octanol-water) -2.560 (none)   EST
Atmospheric OH Rate Constant 8.10E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.