BioLiP

PDB

BioLiP

PDB CCD ID:

R2B

Number of entries in BioLiP:

Chemical formula:

C5 H8 O4

InChI:

InChI=1S/C5H8O4/c6-1-4-5(8)3(7)2-9-4/h2,4-8H,1H2/t4-,5+/m1/s1

InChIKey:

WGCMRWDTTZWXPL-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C1=C(C(C(O1)CO)O)O
OpenEye OEToolkits 1.7.0	C1=C([C@@H]([C@H](O1)CO)O)O
ACDLabs 12.01	OC1=COC(CO)C1O
CACTVS 3.370	OC[CH]1OC=C(O)[CH]1O
CACTVS 3.370	OC[C@H]1OC=C(O)[C@@H]1O

Name:

1,4-anhydro-D-erythro-pent-1-enitol

ZINC:

ZINC000103554899

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).