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BioLiP

PDB CCD ID: 5R5
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O3
InChI: InChI=1S/C4H9NO3/c1-8-4(7)3(5)2-6/h3,6H,2,5H2,1H3/t3-/m0/s1
InChIKey: ANSUDRATXSJBLY-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[C@@H](N)CO
ACDLabs 12.01NC(C(=O)OC)CO
CACTVS 3.385COC(=O)[CH](N)CO
OpenEye OEToolkits 2.0.7COC(=O)[C@H](CO)N
OpenEye OEToolkits 2.0.7COC(=O)C(CO)N
Name:methyl L-serinate;
methyl (2~{S})-2-azanyl-3-oxidanyl-propanoate
ChEMBL: CHEMBL440577
ZINC: ZINC000019230192
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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