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BioLiP Library

PDB CCD ID: XFW
Number of entries in BioLiP: 0
Chemical formula: C5 H13 N3 O2
InChI: InChI=1S/C5H13N3O2/c6-3(5(9)10)1-2-4(7)8/h3-4H,1-2,6-8H2,(H,9,10)/t3-/m0/s1
InChIKey: JBMDZSNFTLLGKG-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(N)N
CACTVS 3.385NC(N)CC[CH](N)C(O)=O
OpenEye OEToolkits 1.9.2C(CC(N)N)C(C(=O)O)N
OpenEye OEToolkits 1.9.2C(CC(N)N)[C@@H](C(=O)O)N
CACTVS 3.385NC(N)CC[C@H](N)C(O)=O
Name:(2S)-2,5,5-tris(azanyl)pentanoic acid
ZINC: ZINC000098209608
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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