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BioLiP

PDB CCD ID: STN
Number of entries in BioLiP: 2
Chemical formula: C8 H15 N O4
InChI: InChI=1S/C8H15NO4/c1-6(2)3-7(8(11)12)4-9(13)5-10/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t7-/m1/s1
InChIKey: LFMOJNDZFCHHPV-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@H](CN(C=O)O)C(=O)O
OpenEye OEToolkits 1.5.0CC(C)CC(CN(C=O)O)C(=O)O
CACTVS 3.341CC(C)C[CH](CN(O)C=O)C(O)=O
ACDLabs 10.04O=C(O)C(CC(C)C)CN(O)C=O
CACTVS 3.341CC(C)C[C@H](CN(O)C=O)C(O)=O
Name:2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID
DrugBank: DB03683
ZINC: ZINC000006352198
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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