BioLiP Library

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●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●FASPR ●EM-Refiner ●GPU-I-TASSER

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BioLiP Library

PDB

BioLiP

PDB CCD ID:

6KW

Number of entries in BioLiP:

Chemical formula:

C13 H26 O5

InChI:

InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-13-11(16)8-10(15)12(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1

InChIKey:

PUHOACQHWFCDOT-RVMXOQNASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	CCCCCCCOC1C(CC(C(O1)CO)O)O
CACTVS 3.385	CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)C[C@@H]1O
OpenEye OEToolkits 2.0.5	CCCCCCCO[C@@H]1[C@H](C[C@@H]([C@H](O1)CO)O)O
CACTVS 3.385	CCCCCCCO[CH]1O[CH](CO)[CH](O)C[CH]1O

Name:

heptyl 3-deoxy-alpha-D-mannopyranoside;
3-Deoxy-Heptylmannoside;
heptyl 3-deoxy-alpha-D-mannoside;
heptyl 3-deoxy-D-mannoside;
heptyl 3-deoxy-mannoside

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
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).

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