BioLiP

PDB

BioLiP

PDB CCD ID:

4CG

Number of entries in BioLiP:

Chemical formula:

C9 H16 N O6 P

InChI:

InChI=1S/C9H16NO6P/c10-7(5-16-17(13,14)15)4-6-2-1-3-8(6)9(11)12/h4,7-8H,1-3,5,10H2,(H,11,12)(H2,13,14,15)/b6-4-/t7-,8-/m1/s1

InChIKey:

ZRZOQCOIQJFVOY-QYPICMNDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1C[C@H](/C(=C\[C@H](COP(=O)(O)O)N)/C1)C(=O)O
OpenEye OEToolkits 1.9.2	C1CC(C(=CC(COP(=O)(O)O)N)C1)C(=O)O
CACTVS 3.385	N[C@@H](CO[P](O)(O)=O)\C=C/1CCC[C@H]/1C(O)=O
CACTVS 3.385	N[CH](CO[P](O)(O)=O)C=C1CCC[CH]1C(O)=O
ACDLabs 12.01	C1(/C(CCC1)C(=O)O)=C/C(COP(O)(O)=O)N

Name:

(1R,2Z)-2-[(2R)-2-amino-3-(phosphonooxy)propylidene]cyclopentanecarboxylic acid

ZINC:

ZINC000263621358

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).