BioLiP

PDB

BioLiP

PDB CCD ID:

ZZI

Number of entries in BioLiP:

Chemical formula:

C10 H21 N O4

InChI:

InChI=1S/C10H21NO4/c1-3-5-11(6-4-2)10(15)9(14)8(13)7-12/h8-9,12-14H,3-7H2,1-2H3/t8-,9-/m1/s1

InChIKey:

JYHQCIGUBKFYNN-RKDXNWHRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O
CACTVS 3.352	CCCN(CCC)C(=O)[C@H](O)[C@H](O)CO
CACTVS 3.352	CCCN(CCC)C(=O)[CH](O)[CH](O)CO
OpenEye OEToolkits 1.6.1	CCCN(CCC)C(=O)C(C(CO)O)O
ACDLabs 10.04	O=C(N(CCC)CCC)C(O)C(O)CO

Name:

(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE

ZINC:

ZINC000058650004

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).