BioLiP

PDB

BioLiP

PDB CCD ID:

AR4

Number of entries in BioLiP:

Chemical formula:

C10 H16 F N O8

InChI:

InChI=1S/C10H16FNO8/c11-10(18)7(15)5(3-13)19-9(10)20-6(14)2-1-4(12)8(16)17/h4-5,7,9,13,15,18H,1-3,12H2,(H,16,17)/t4-,5+,7+,9+,10+/m0/s1

InChIKey:

DAZJIIGIBQQBAL-WLUSSPCKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CC(=O)OC1C(C(C(O1)CO)O)(O)F)C(C(=O)O)N
ACDLabs 12.01	O=C(OC1OC(C(O)C1(F)O)CO)CCC(C(=O)O)N
CACTVS 3.370	N[C@@H](CCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@]1(O)F)C(O)=O
CACTVS 3.370	N[CH](CCC(=O)O[CH]1O[CH](CO)[CH](O)[C]1(O)F)C(O)=O

Name:

2-azanyl-5-[3-fluoranyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5-oxidanylidene-pentanoic acid;
MODIFIED RIBOSYLATED GLUTAMYL ESTER

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).