BioLiP

PDB

BioLiP

PDB CCD ID:

ELL

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	N[C@@H](C[C@@H]1CCNC1=O)C=O
OpenEye OEToolkits 2.0.7	C1CNC(=O)[C@@H]1C[C@@H](C=O)N
OpenEye OEToolkits 2.0.7	C1CNC(=O)C1CC(C=O)N
CACTVS 3.385	N[CH](C[CH]1CCNC1=O)C=O

Name:

(2S)-2-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propanal

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).