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BioLiP Library

PDB CCD ID: C5S
Number of entries in BioLiP: 2
Chemical formula: C5 H7 N O5
InChI: InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m1/s1
InChIKey: MQUUQXIFCBBFDP-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)C[C@@H](NC=O)C(O)=O
ACDLabs 12.01C(C(=O)O)C(C(O)=O)NC=O
OpenEye OEToolkits 2.0.6C([C@H](C(=O)O)NC=O)C(=O)O
OpenEye OEToolkits 2.0.6C(C(C(=O)O)NC=O)C(=O)O
CACTVS 3.385OC(=O)C[CH](NC=O)C(O)=O
Name:N-formyl-D-aspartic acid
ZINC: ZINC000004544818
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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