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BioLiP

PDB CCD ID: KDR
Number of entries in BioLiP: 1
Chemical formula: C11 H18 O7
InChI: InChI=1S/C11H18O7/c1-2-3-17-11(6-13)4-7(14)9(16)10(18-11)8(15)5-12/h2,6-10,12,14-16H,1,3-5H2/t7-,8-,9-,10-,11-/m1/s1
InChIKey: FRBOGERKQAMFNA-ISUQUUIWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C=O
OpenEye OEToolkits 1.5.0C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)C=O
CACTVS 3.341OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C=O
CACTVS 3.341OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C=O
ACDLabs 10.04O=CC1(OC\C=C)OC(C(O)CO)C(O)C(O)C1
Name:prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-ulopyranoside;
prop-2-en-1-yl 3-deoxy-alpha-D-manno-octos-2-uloside;
prop-2-en-1-yl 3-deoxy-D-manno-octos-2-uloside;
prop-2-en-1-yl 3-deoxy-manno-octos-2-uloside
ZINC: ZINC000058638844
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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