BioLiP

PDB

BioLiP

PDB CCD ID:

61H

Number of entries in BioLiP:

Chemical formula:

C19 H19 O5 P

InChI:

InChI=1S/C19H19O5P/c20-17-10-18(24-19(17)11-23-25(21)22)14-7-8-16-13(9-14)6-5-12-3-1-2-4-15(12)16/h1-9,17-20,25H,10-11H2,(H,21,22)/t17-,18+,19+/m0/s1

InChIKey:

LOPGFTBXKTZFOQ-IPMKNSEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1C[CH](O[CH]1CO[PH](O)=O)c2ccc3c(ccc4ccccc34)c2
OpenEye OEToolkits 2.0.4	c1ccc2c(c1)ccc3c2ccc(c3)C4CC(C(O4)COP(=O)O)O
OpenEye OEToolkits 2.0.4	c1ccc2c(c1)ccc3c2ccc(c3)[C@H]4C[C@@H]([C@H](O4)COP(=O)O)O
CACTVS 3.385	O[C@H]1C[C@@H](O[C@@H]1CO[PH](O)=O)c2ccc3c(ccc4ccccc34)c2
ACDLabs 12.01	P(=O)(O)OCC4OC(c3cc2ccc1ccccc1c2cc3)CC4O

Name:

(1R)-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]-1-phenanthren-2-yl-D-erythro-pentitol

ZINC:

ZINC000584905265

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).