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BioLiP

PDB CCD ID: GHS
Number of entries in BioLiP: 1
Chemical formula: C7 H15 N3 O2
InChI: InChI=1S/C7H15N3O2/c8-7(9)10-5-3-1-2-4-6(11)12/h1-5H2,(H,11,12)(H4,8,9,10)
InChIKey: NSDYIDKTTPXCRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6[H]/N=C(\N)/NCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCNC(=[N@H])N
CACTVS 3.370NC(=N)NCCCCCC(O)=O
OpenEye OEToolkits 1.7.6C(CCC(=O)O)CCNC(=N)N
Name:6-carbamimidamidohexanoic acid
ZINC: ZINC000001727046
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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