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BioLiP Library

PDB CCD ID: C0O
Number of entries in BioLiP: 0
Chemical formula: C7 H12 N2 O4
InChI: InChI=1S/C7H12N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h1-2,4-5H,3,8-9H2,(H,10,11)(H,12,13)/b2-1-/t4-,5+/m1/s1
InChIKey: PYWMQEZFWCITLG-SHXURVFISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](C\C=C/[C@@H](N)C(O)=O)C(O)=O
CACTVS 3.385N[CH](CC=C[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6C(C=CC(C(=O)O)N)C(C(=O)O)N
OpenEye OEToolkits 2.0.6C(/C=C\[C@H](C(=O)O)N)[C@@H](C(=O)O)N
Name:(~{Z},2~{R},6~{S})-2,6-bis(azanyl)hept-3-enedioic acid
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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