BioLiP

PDB

BioLiP

PDB CCD ID:

PR7

Number of entries in BioLiP:

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-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O
OpenEye OEToolkits 1.7.0	C1CC(N(C1)CC(C(=O)O)O)C(=O)O
CACTVS 3.370	O[C@@H](CN1CCC[C@H]1C(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(O)CN1C(C(=O)O)CCC1
CACTVS 3.370	O[CH](CN1CCC[CH]1C(O)=O)C(O)=O

Name:

1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline

ZINC:

ZINC000066166270

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).