BioLiP

PDB

BioLiP

PDB CCD ID:

BRR

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O4

InChI:

InChI=1S/C8H15NO4/c1-2-3-4-7(8(11)12)5-9(13)6-10/h6-7,13H,2-5H2,1H3,(H,11,12)/t7-/m1/s1

InChIKey:

NOSUUIPGNMAALM-SSDOTTSWSA-N

SMILES:

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

Name:

(2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID

DrugBank:

DB02625

ZINC:

ZINC000012502376

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).