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BioLiP Library

PDB CCD ID: 6A0
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N2 O4
InChI: InChI=1S/C8H16N2O4/c9-6(8(12)13)4-2-1-3-5-7(11)10-14/h6,14H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKey: RDQUMSJVLRPKKZ-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCCCCC(=O)NO)C(O)=O
CACTVS 3.385N[C@@H](CCCCCC(=O)NO)C(O)=O
OpenEye OEToolkits 2.0.4C(CCC(C(=O)O)N)CCC(=O)NO
OpenEye OEToolkits 2.0.4C(CC[C@@H](C(=O)O)N)CCC(=O)NO
ACDLabs 12.01NC(C(O)=O)CCCCCC(NO)=O
Name:(2S)-2-amino-8-(hydroxyamino)-8-oxooctanoic acid
ZINC: ZINC000168694063
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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