BioLiP

PDB

BioLiP

PDB CCD ID:

1AB

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O3

InChI:

InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5-/m1/s1

InChIKey:

OQEBIHBLFRADNM-UOWFLXDJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H]([C@H](N1)CO)O)O
OpenEye OEToolkits 1.5.0	C1C(C(C(N1)CO)O)O
CACTVS 3.341	OC[C@H]1NC[C@@H](O)[C@@H]1O
ACDLabs 10.04	OCC1NCC(O)C1O
CACTVS 3.341	OC[CH]1NC[CH](O)[CH]1O

Name:

1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL

ChEMBL:

CHEMBL80254

ZINC:

ZINC000001492250

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).