Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

JJL

Summary
Name:S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine
Formula:C10 H14 N2 O4 S
Formal charge:0
Formula weight:258.294 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs12.01S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine
OpenEye OEToolkits1.7.0(2R)-2-azanyl-3-[(S)-hydroxy-(5-methoxypyridin-3-yl)methyl]sulfanyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)CSC(O)c1cncc(OC)c1
SMILES_CANONICALCACTVS3.370COc1cncc(c1)[C@@H](O)SC[C@H](N)C(O)=O
SMILESCACTVS3.370COc1cncc(c1)[CH](O)SC[CH](N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.0COc1cc(cnc1)C(O)SCC(C(=O)O)N
InChIInChI1.03InChI=1S/C10H14N2O4S/c1-16-7-2-6(3-12-4-7)10(15)17-5-8(11)9(13)14/h2-4,8,10,15H,5,11H2,1H3,(H,13,14)/t8-,10-/m0/s1
InChIKeyInChI1.03ZARNOYAJRQCTEJ-WPRPVWTQSA-N

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon