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L-Homocysteine

CAT: 0127-BIB6065-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BIB6065-01Size:100 mg
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CAS Number
6027-13-0
Synonyms
(S) -2-Amino-4-mercaptobutyric acid
MDL Number
MFCD00151320
Smiles
N[C@@H](CCS)C(=O)O
Additionnal Information
Store at or below -20°C
Storage Conditions
Store at -20°C

Chemical Information

L-Homocysteine

L-homocysteine is a homocysteine that has L configuration. It has a role as a mouse metabolite. It is a homocysteine and a serine family amino acid. It is a conjugate acid of a L-homocysteinate. It is a tautomer of a L-homocysteine zwitterion.

CAS Number6027-13-0
PubChem CID91552
IUPAC Name(2S)-2-amino-4-sulfanylbutanoic acid
Molecular FormulaC4H9NO2S
Molecular Weight135.19
XLogP-3.4
Topological Polar Surface Area64.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
C(CS)[C@@H](C(=O)O)N
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
Chemical Structure
2D Structure
2D structure of L-Homocysteine
CAS: 6027-13-0
CID: 91552
Formula: C4H9NO2S
MW: 135.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.19
XLogP3-3.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass135.03539970
Monoisotopic Mass135.03539970
Topological Polar Surface Area64.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.1
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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