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BioLiP

PDB CCD ID: OIB
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O5
InChI: InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
InChIKey: AZZQNKGHODDJIM-YUPRTTJUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[CH](CN)[CH](O)[CH](O)C(O)=O
OpenEye OEToolkits 3.1.0.0COC(CN)C(C(C(=O)O)O)O
OpenEye OEToolkits 3.1.0.0CO[C@@H](CN)[C@@H]([C@@H](C(=O)O)O)O
CACTVS 3.385CO[C@@H](CN)[C@H](O)[C@H](O)C(O)=O
Name:hydroxylated gamma-amino valeroyl moiety;
(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid;
(2S,3R,4S)-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
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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