Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID008361
Phytochemical name: Cysteic Acid
Synonymous chemical names:cysteic acid
External chemical identifiers:CID:CID_25701, ChEMBL:CHEMBL1171434, ChEBI:CHEBI:21260, FDASRS:A3OGP4C37W, SureChEMBL:SCHEMBL44030, MolPort-000-002-652
Chemical structure information
SMILES:
OC(=O)C(CS(=O)(=O)O)NInChI:
InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)InChIKey:
XVOYSCVBGLVSOL-UHFFFAOYSA-NDeepSMILES:
OC=O)CCS=O)=O)O)))NFunctional groups:
CC(=O)O, CS(=O)(=O)O, CNLink to spectral information:
MSBNK-Washington_State_Univ-BML81588, MSBNK-Washington_State_Univ-BML81586, MSBNK-Washington_State_Univ-BML81585, MSBNK-Washington_State_Univ-BML01673, MSBNK-Washington_State_Univ-BML01640, MSBNK-Washington_State_Univ-BML01683
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic acids and derivativesClassyFire Class: Carboxylic acids and derivatives
ClassyFire Subclass: Amino acids, peptides, and analogues
NP Classifier Biosynthetic pathway: Amino acids and Peptides
NP Classifier Superclass: Small peptides
NP Classifier Class: Aminoacids
NP-Likeness score: 0.34
Chemical structure download
