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L-Homocystine

CAT: 0013-GTR19158948-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158948-01Size:200 mg
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Description
Homocystine is the double-bonded form of homocysteine but it occurs only transiently before being converted to the harmless cystathionine via a vitamin B6-dependent enzyme. Increasing evidence supports a role for an elevation of homocysteine in schizophrenia. It has been demonstrated that neural tube defects are related to a genetic defect in homocysteine metabolism. Sufficient intake of folic acid is believed to reduce this risk by enhancing methylation of homocysteine and its conversion to methionine thereby compensating for this genetic defect (homocystinuria) . Plasma homocysteine levels are elevated when folate levels are in the lower half of the normal range.
CAS Number
626-72-2
Purity
>98% (HPLC)
Solubility
DMSO: 1 mg/mL (3.73 mM; ultrasonic and adjust pH to 5 with HCl) ; H2O: 1 mg/mL (3.73 mM; ultrasonic and adjust pH to 2 with HCl)
Smiles
N[C@@H] (CCSSCC[C@H] (N) C (O) =O) C (O) =O
Molecular Formula
C8H16N2O4S2
Molecular Weight
268.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

L-Homocystine

L,L-homocystine is a homocystine in which both chiral centres have L configuration. It is functionally related to a L-homocysteine. It is a tautomer of a L,L-homocystine zwitterion.

CAS Number626-72-2
PubChem CID439579
IUPAC Name(2S)-2-amino-4-[[(3S)-3-amino-3-carboxypropyl]disulfanyl]butanoic acid
Molecular FormulaC8H16N2O4S2
Molecular Weight268.4
XLogP-5.6
Topological Polar Surface Area177
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity216
SMILES
C(CSSCC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1
InChIKey
ZTVZLYBCZNMWCF-WDSKDSINSA-N
Chemical Structure
2D Structure
2D structure of L-Homocystine
CAS: 626-72-2
CID: 439579
Formula: C8H16N2O4S2
MW: 268.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight268.4
XLogP3-5.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass268.05514934
Monoisotopic Mass268.05514934
Topological Polar Surface Area177 Ų
Heavy Atom Count16
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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