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BioLiP

PDB CCD ID: A5N
Number of entries in BioLiP: 0
Chemical formula: C5 H8 N2 O5
InChI: InChI=1S/C5H8N2O5/c6-2(4(8)9)1-3(7)12-5(10)11/h2,7H,1,6H2,(H,8,9)(H,10,11)/b7-3+/t2-/m0/s1
InChIKey: CBFIQFJPESIKON-PYTJRISJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352N[C@@H](CC(=N)OC(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1[H]N=C(CC(C(=O)O)N)OC(=O)O
ACDLabs 10.04O=C(O)C(N)CC(=[N@H])OC(=O)O
CACTVS 3.352N[CH](CC(=N)OC(O)=O)C(O)=O
OpenEye OEToolkits 1.6.1[H]/N=C(\C[C@@H](C(=O)O)N)/OC(=O)O
Name:O-carboxy-4-imino-L-homoserine
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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