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BioLiP

PDB CCD ID: 5OM
Number of entries in BioLiP: 0
Chemical formula: C10 H19 N O5
InChI: InChI=1S/C10H19NO5/c11-7(9(12)13)4-2-1-3-5-10(14,15)8-6-16-8/h7-8,14-15H,1-6,11H2,(H,12,13)/t7-,8-/m0/s1
InChIKey: UAOBJHWYYLJIHG-YUMQZZPRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4C1C(O1)C(CCCCCC(C(=O)O)N)(O)O
OpenEye OEToolkits 2.0.4C1[C@H](O1)C(CCCCC[C@@H](C(=O)O)N)(O)O
ACDLabs 12.01OC(CCCCCC(N)C(=O)O)(O)C1OC1
CACTVS 3.385N[CH](CCCCCC(O)(O)[CH]1CO1)C(O)=O
CACTVS 3.385N[C@@H](CCCCCC(O)(O)[C@@H]1CO1)C(O)=O
Name:(2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid
ZINC: ZINC000584904930
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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