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BioLiP

PDB CCD ID: 4OZ
Number of entries in BioLiP: 3
Chemical formula: C12 H13 N O7
InChI: InChI=1S/C12H13NO7/c1-19-12(18)8(5-20-6-14)13-11(17)7-3-2-4-9(15)10(7)16/h2-4,6,8,15-16H,5H2,1H3,(H,13,17)/t8-/m0/s1
InChIKey: SHACLOMOOCNGDP-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)[CH](COC=O)NC(=O)c1cccc(O)c1O
OpenEye OEToolkits 1.9.2COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O
CACTVS 3.385COC(=O)[C@H](COC=O)NC(=O)c1cccc(O)c1O
ACDLabs 12.01COC(C(COC=O)NC(c1c(c(ccc1)O)O)=O)=O
OpenEye OEToolkits 1.9.2COC(=O)C(COC=O)NC(=O)c1cccc(c1O)O
Name:methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate
ZINC: ZINC000263621039
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).
  • 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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