Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 20:22:10 UTC
Update Date2022-08-12 20:09:40 UTC
Metabolite IDMMDBc0056299
Metabolite Identification
Common NameS-3-(hexan-1-ol)-L-cysteine
Description205173-20-2 belongs to the class of organic compounds known as l-cysteine-s-conjugates. L-cysteine-S-conjugates are compounds containing L-cysteine where the thio-group is conjugated. Based on a literature review very few articles have been published on 205173-20-2.
Structure
SynonymsNot Available
Molecular FormulaC9H19NO3S
Average Mass221.32
Monoisotopic Mass221.10856465
IUPAC Name(2R)-2-amino-3-[(1-hydroxyhexan-3-yl)sulfanyl]propanoic acid
Traditional Name(2R)-2-amino-3-[(1-hydroxyhexan-3-yl)sulfanyl]propanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](N)(CSC([H])(CCC)CCO)C(O)=O
InChI Identifier
InChI=1S/C9H19NO3S/c1-2-3-7(4-5-11)14-6-8(10)9(12)13/h7-8,11H,2-6,10H2,1H3,(H,12,13)/t7?,8-/m0/s1
InChI KeyGTJBXOQYHBJVCS-MQWKRIRWSA-N