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L-Homocystine

CAT: 1410-M19719-01Size: 1 EachDry Ice: NoHazardous: No
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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.
CAS Number
626-72-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
268.35
Molecular Formula
C8H16N2O4S2
Notes
Research use only, not for human use.
Receptor
Human Endogenous Metabolite

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...
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