BioLiP

PDB

BioLiP

PDB CCD ID:

HNE

Number of entries in BioLiP:

Chemical formula:

C9 H16 O2

InChI:

InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+/t9-/m1/s1

InChIKey:

JVJFIQYAHPMBBX-VPIOIWJLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCC(C=CC=O)O
ACDLabs 10.04	O=C/C=C/C(O)CCCCC
OpenEye OEToolkits 1.5.0	CCCCC[C@H](C=CC=O)O
CACTVS 3.341	CCCCC[CH](O)C=CC=O
CACTVS 3.341	CCCCC[C@@H](O)/C=C/C=O

Name:

(2E,4R)-4-HYDROXYNON-2-ENAL

ZINC:

ZINC000002020117

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).