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JJK

Summary
Name:S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine
Formula:C9 H12 N2 O3 S
Formal charge:0
Formula weight:228.268 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)CSC(O)c1cccnc1
SMILES_CANONICALCACTVS3.370N[C@@H](CS[C@H](O)c1cccnc1)C(O)=O
SMILESCACTVS3.370N[CH](CS[CH](O)c1cccnc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.7.0c1cc(cnc1)C(O)SCC(C(=O)O)N
InChIInChI1.03InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1
InChIKeyInChI1.03QHZWFSKZAVJVMS-CBAPKCEASA-N

217705

PDB entries from 2024-03-27

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