BioLiP

PDB

BioLiP

PDB CCD ID:

S7P

Number of entries in BioLiP:

Chemical formula:

C7 H15 O10 P

InChI:

InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1

InChIKey:

RKCHIPUTSFLEHR-BNWJMWRWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O
CACTVS 3.385	OC[C@@]1(O)O[C@H]([C@H](O)CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O
CACTVS 3.385	OC[C]1(O)O[CH]([CH](O)CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C(C(C1C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O

Name:

1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose;
1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose;
1-C-(hydroxymethyl)-6-O-phosphono-D-altrose;
1-C-(hydroxymethyl)-6-O-phosphono-altrose

ZINC:

ZINC000263620973

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).