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BioLiP

PDB CCD ID: 5OL
Number of entries in BioLiP: 0
Chemical formula: C8 H18 N2 O4
InChI: InChI=1S/C8H18N2O4/c1-8(13,14)10-5-3-2-4-6(9)7(11)12/h6,10,13-14H,2-5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey: VPMDIAZXPVLBIV-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC(NCCCCC(C(=O)O)N)(O)O
CACTVS 3.385CC(O)(O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.4CC(NCCCC[C@@H](C(=O)O)N)(O)O
CACTVS 3.385CC(O)(O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01C(CCCCNC(C)(O)O)(C(=O)O)N
Name:N~6~-(1,1-dihydroxyethyl)-L-lysine
ZINC: ZINC000584904961
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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