BioLiP

PDB

BioLiP

PDB CCD ID:

AMM

Number of entries in BioLiP:

Chemical formula:

C8 H19 N O3 Si

InChI:

InChI=1S/C8H19NO3Si/c1-7(2)3-8(4-10)5-13(11,12)6-9/h4,7-8,11-12H,3,5-6,9H2,1-2H3/t8-/m0/s1

InChIKey:

ZZKRIEGAOOCWBS-QMMMGPOBSA-N

SMILES:

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

Name:

(2S)-2-{[(AMINOMETHYL)(DIHYDROXY)SILYL]METHYL}-4-METHYLPENTANAL

ZINC:

ZINC000195809084

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).