BioLiP

PDB

BioLiP

PDB CCD ID:

XXM

Number of entries in BioLiP:

Chemical formula:

C5 H10 O5

InChI:

InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1

InChIKey:

ASNHGEVAWNWCRQ-VAYJURFESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	C1[C@@]([C@H]([C@H](O1)O)O)(CO)O
ACDLabs 12.01	OCC1(C(C(OC1)O)O)O
CACTVS 3.385	OC[C]1(O)CO[CH](O)[CH]1O
CACTVS 3.385	OC[C@@]1(O)CO[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.4	C1C(C(C(O1)O)O)(CO)O

Name:

3-C-(hydroxylmethyl)-alpha-D-erythrofuranose;
alpha-D-apiose;
3-C-(hydroxylmethyl)-alpha-D-erythrose;
3-C-(hydroxylmethyl)-D-erythrose;
3-C-(hydroxylmethyl)-erythrose;
(2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol

ZINC:

ZINC000014854290

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).