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BioLiP

PDB CCD ID: UZD
Number of entries in BioLiP: 4
Chemical formula: C15 H29 N O7
InChI: InChI=1S/C15H29NO7/c1-3-4-5-6-7-8-16-15(20)22-9-10-11(17)12(18)13(19)14(21-2)23-10/h10-14,17-19H,3-9H2,1-2H3,(H,16,20)/t10-,11-,12-,13+,14-/m0/s1
InChIKey: XPIVOYOQXKNYHA-YHQUGGNUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCNC(=O)OC[C@@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
CACTVS 3.385CCCCCCCNC(=O)OC[CH]1O[CH](OC)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=C(OCC1OC(C(C(C1O)O)O)OC)NCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCNC(=O)OC[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC)O)O)O
OpenEye OEToolkits 2.0.7CCCCCCCNC(=O)OCC1C(C(C(C(O1)OC)O)O)O
Name:methyl 6-O-(heptylcarbamoyl)-beta-L-altropyranoside
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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