BioLiP

PDB

BioLiP

PDB CCD ID:

ZHP

Number of entries in BioLiP:

Chemical formula:

C9 H14 N O7 P

InChI:

InChI=1S/C9H14NO7P/c1-6-9(13)8(12)2-3-10(6)4-7(11)5-17-18(14,15)16/h2-3,7,11,13H,4-5H2,1H3,(H2,14,15,16)/t7-/m0/s1

InChIKey:

ZGKIDEITKNGVFV-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0	CC1=C(C(=O)C=CN1CC(COP(=O)(O)O)O)O
ACDLabs 10.04	O=P(O)(O)OCC(O)CN1C(=C(O)C(=O)C=C1)C
CACTVS 3.341	CC1=C(O)C(=O)C=CN1C[C@H](O)CO[P](O)(O)=O
CACTVS 3.341	CC1=C(O)C(=O)C=CN1C[CH](O)CO[P](O)(O)=O

Name:

(S)-1'-(2',3'-DIHYDROXYPROPYL)-HYDROXYPYRIDONE

ZINC:

ZINC000058638969

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).