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BioLiP

PDB CCD ID: 291
Number of entries in BioLiP: 3
Chemical formula: C11 H19 N O8
InChI: InChI=1S/C11H19NO8/c1-2-3-18-10-8(16)6(14)7(15)9(20-10)5(13)4-19-11(12)17/h2,5-10,13-16H,1,3-4H2,(H2,12,17)/t5-,6-,7-,8-,9+,10-/m0/s1
InChIKey: JSAVYXHOFSIYSH-UCKHGQTESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)OC[CH](O)[CH]1O[CH](OCC=C)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C=CCOC1C(C(C(C(O1)C(COC(=O)N)O)O)O)O
ACDLabs 10.04O=C(OCC(O)C1OC(OC/C=C)C(O)C(O)C1O)N
CACTVS 3.341NC(=O)OC[C@H](O)[C@H]1O[C@H](OCC=C)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O
Name:prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptopyranoside;
prop-2-en-1-yl 7-O-carbamoyl-L-glycero-alpha-D-manno-heptoside;
prop-2-en-1-yl 7-O-carbamoyl-L-glycero-D-manno-heptoside;
prop-2-en-1-yl 7-O-carbamoyl-L-glycero-manno-heptoside
ZINC: ZINC000016052533
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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