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BioLiP

PDB CCD ID: SSC
Number of entries in BioLiP: 4
Chemical formula: C7 H11 N O4
InChI: InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5-/m0/s1
InChIKey: LIZWYFXJOOUDNV-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(NC1CC(=O)O)C(=O)O
CACTVS 3.341OC(=O)C[CH]1CC[CH](N1)C(O)=O
ACDLabs 10.04O=C(O)CC1NC(C(=O)O)CC1
CACTVS 3.341OC(=O)C[C@@H]1CC[C@H](N1)C(O)=O
OpenEye OEToolkits 1.5.0C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O
Name:(2S,5S)-5-CARBOXYMETHYLPROLINE
DrugBank: DB03215
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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