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BioLiP

PDB CCD ID: 1X0
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O2
InChI: InChI=1S/C8H15NO2/c1-2-3-4-5-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)/t7-/m0/s1
InChIKey: VXVRWMRIUKRFMP-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCCC/C=C
OpenEye OEToolkits 1.7.6C=CCCCCC(C(=O)O)N
CACTVS 3.385N[CH](CCCCC=C)C(O)=O
OpenEye OEToolkits 1.7.6C=CCCCC[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](CCCCC=C)C(O)=O
Name:(2S)-2-aminooct-7-enoic acid
ZINC: ZINC000002388371
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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