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BioLiP

PDB CCD ID: ELL
Number of entries in BioLiP: 0
Chemical formula: C7 H12 N2 O2
InChI: InChI=1S/C7H12N2O2/c8-6(4-10)3-5-1-2-9-7(5)11/h4-6H,1-3,8H2,(H,9,11)/t5-,6-/m0/s1
InChIKey: SWYZRJLGDPTHSU-WDSKDSINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](C[C@@H]1CCNC1=O)C=O
OpenEye OEToolkits 2.0.7C1CNC(=O)[C@@H]1C[C@@H](C=O)N
OpenEye OEToolkits 2.0.7C1CNC(=O)C1CC(C=O)N
CACTVS 3.385N[CH](C[CH]1CCNC1=O)C=O
Name:(2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal
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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