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BioLiP

PDB CCD ID: CMY
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N2 O2
InChI: InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKey: HDIHOAXFFROQHR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCCCCCNC(O)=O
ACDLabs 10.04O=C(O)NCCCCCCN
OpenEye OEToolkits 1.5.0C(CCCNC(=O)O)CCN
Name:(6-AMINOHEXYL)CARBAMIC ACID
ZINC: ZINC000031357026
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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