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BioLiP

PDB CCD ID: BXC
Number of entries in BioLiP: 0
Chemical formula: C25 H50 O5
InChI: InChI=1S/C25H50O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-29-25-24(28)23(27)22(26)17-30-25/h18-28H,6-17H2,1-5H3/t19-,20-,21-,22-,23-,24-,25+/m1/s1
InChIKey: ZSTFWXWLAGSUTP-RJQIIPCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC1C(C(C(CO1)O)O)O
OpenEye OEToolkits 1.7.0C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O
CACTVS 3.370CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
ACDLabs 12.01O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1OCC(O)C(O)C1O
CACTVS 3.370CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH]1OC[CH](O)[CH](O)[CH]1O
Name:(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl alpha-D-ribopyranoside
ZINC: ZINC000058632835
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).
  • 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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