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BioLiP

PDB CCD ID: SUJ
Number of entries in BioLiP: 0
Chemical formula: C9 H16 N2 O5
InChI: InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-6(13)3-2-5(10)8(11)14/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5+,6-,7+/m1/s1
InChIKey: ODVCESWVBOFPFP-UCROKIRRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N1[C@@H](CC[C@@H](C1=O)N)O)O
CACTVS 3.341C[C@@H](O)[C@H](N1[C@H](O)CC[C@H](N)C1=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N1C(CCC(C1=O)N)O)O
CACTVS 3.341C[CH](O)[CH](N1[CH](O)CC[CH](N)C1=O)C(O)=O
ACDLabs 10.04O=C(O)C(N1C(=O)C(N)CCC1O)C(O)C
Name:(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
ZINC: ZINC000058649763
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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