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CBHcy

CAT: 1410-M34057-01Size: 1 EachDry Ice: NoHazardous: No
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Description
CBHcy is a dual-substrate analogue, a specific BHMT inhibitor that causes betaine-homocysteine S-methyltransferase (BHMT) to adopt the same conformation as the ternary complex, potentially inducing the development of cysteinemia.
CAS Number
88096-02-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
235.3
Molecular Formula
C9H17NO4S
Notes
Research use only, not for human use.
Receptor
Transferase

Chemical Information

(R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentanoic acid
CAS Number88096-02-0
PubChem CID3518587
IUPAC Name5-(3-amino-3-carboxypropyl)sulfanylpentanoic acid
Molecular FormulaC9H17NO4S
Molecular Weight235.30
XLogP-1.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count15
Formal Charge0
Complexity210
SMILES
C(CCSCCC(C(=O)O)N)CC(=O)O
InChI
InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)
InChIKey
BMONDXDFXRPNKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentanoic acid
CAS: 88096-02-0
CID: 3518587
Formula: C9H17NO4S
MW: 235.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.30
XLogP3-1.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass235.08782920
Monoisotopic Mass235.08782920
Topological Polar Surface Area126 Ų
Heavy Atom Count15
Formal Charge0
Complexity210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T25210-01CBHcy

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