BioLiP

PDB

BioLiP

PDB CCD ID:

HCX

Number of entries in BioLiP:

Chemical formula:

C7 H13 O4 P

InChI:

InChI=1S/C7H13O4P/c8-7-2-4-1-5(4)6(7)3-11-12(9)10/h4-8,12H,1-3H2,(H,9,10)/t4-,5-,6+,7+/m1/s1

InChIKey:

MHTBERPCQUPUKA-JWXFUTCRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1C2C1C(C(C2)O)COP(=O)O
ACDLabs 10.04	O=P(OCC1C2CC2CC1O)O
CACTVS 3.341	O[C@H]1C[C@H]2C[C@H]2[C@@H]1CO[P@H](O)=O
CACTVS 3.341	O[CH]1C[CH]2C[CH]2[CH]1CO[PH](O)=O
OpenEye OEToolkits 1.5.0	C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[P@@H](=O)O

Name:

(SOUTH) BICYCLO[3.1.0]HEXANE

ZINC:

ZINC000058633229

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).