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BioLiP

PDB CCD ID: TEC
Number of entries in BioLiP: 1
Chemical formula: C16 H31 N O6
InChI: InChI=1S/C16H31NO6/c1-2-3-4-5-6-7-8-9-12(18)22-10-11-14(19)15(20)13(17)16(21)23-11/h11,13-16,19-21H,2-10,17H2,1H3/t11-,13-,14-,15-,16-/m1/s1
InChIKey: CEBTVLUOBKRBFG-JPIRQXTESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](N)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O
ACDLabs 12.01O=C(OCC1OC(O)C(N)C(O)C1O)CCCCCCCCC
CACTVS 3.385CCCCCCCCCC(=O)OC[C@H]1O[C@@H](O)[C@H](N)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)N)O)O
Name:2-amino-6-O-decanoyl-2-deoxy-beta-D-glucopyranose
ZINC: ZINC000098209445
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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