BioLiP

PDB

BioLiP

PDB CCD ID:

I22

Number of entries in BioLiP:

Chemical formula:

C7 H15 O10 P

InChI:

InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1

InChIKey:

JDTUMPKOJBQPKX-GBNDHIKLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OCC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.370	OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.2	C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O
ACDLabs 12.01	O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O
OpenEye OEToolkits 1.7.2	C(C(C(C(C(C(=O)CO)O)O)O)O)OP(=O)(O)O

Name:

D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE;
7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE;
SEDOHEPTULOSE 7-PHOSPHATE

ZINC:

ZINC000005132038

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).