Met006608: N-Acetylcystathionine
Metabolite Information
Name
N-Acetylcystathionine
IUPAC Name
(2S)-4-(2-acetamido-2-carboxyethyl)sulfanyl-2-aminobutanoic acid
Molecular Formula
C9H16N2O5S
Molecular Weight
264.3
Exact Mass
264.0779928
SMILES
CC(=O)NC(CSCCC(C(=O)O)N)C(=O)O
InChIKey
QWACVTVBTRSCRL-PKPIPKONSA-N
InChI
InChI=1S/C9H16N2O5S/c1-5(12)11-7(9(15)16)4-17-3-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t6-,7?/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Carboxylic acids and derivatives
Subclass:
Amino acids, peptides, and analogues
Crops containing this metabolite
asparagus
cowpea
garlic
kidney_bean
mung_bean
onion
turnip
cowpea
garlic
kidney_bean
mung_bean
onion
turnip
Metabolite Spectrum Accession Label