BioLiP

PDB

BioLiP

PDB CCD ID:

17U

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O

InChI:

InChI=1S/C9H19NO/c1-6(2)5-8(10)9(11)7(3)4/h6,8-9,11H,3,5,10H2,1-2,4H3/t8-,9-/m0/s1

InChIKey:

OCYCPKJWRSNASS-IUCAKERBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)C[C@@H]([C@H](C(=C)C)O)N
OpenEye OEToolkits 1.7.6	CC(C)CC(C(C(=C)C)O)N
ACDLabs 12.01	OC(C(=C)\C)C(N)CC(C)C
CACTVS 3.370	CC(C)C[CH](N)[CH](O)C(C)=C
CACTVS 3.370	CC(C)C[C@H](N)[C@@H](O)C(C)=C

Name:

(3S,4S)-4-amino-2,6-dimethylhept-1-en-3-ol

ZINC:

ZINC000098207927

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).