SEQ2FUN

BioLiP

PDB CCD ID: PR4
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N O5
InChI: InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6+/m0/s1
InChIKey: VWTJOUUXTYKUIB-NTSWFWBYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O
OpenEye OEToolkits 1.7.0C1CC(N(C1)CC(C(=O)O)O)C(=O)O
ACDLabs 12.01O=C(O)C(O)CN1C(C(=O)O)CCC1
CACTVS 3.370O[C@H](CN1CCC[C@H]1C(O)=O)C(O)=O
CACTVS 3.370O[CH](CN1CCC[CH]1C(O)=O)C(O)=O
Name:1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline
ZINC: ZINC000058638492
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).