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BioLiP

PDB CCD ID: KDA
Number of entries in BioLiP: 11
Chemical formula: C11 H18 O8
InChI: InChI=1S/C11H18O8/c1-2-3-18-11(10(16)17)4-6(13)8(15)9(19-11)7(14)5-12/h2,6-9,12-15H,1,3-5H2,(H,16,17)/t6-,7-,8-,9-,11-/m1/s1
InChIKey: LEEKAQBTVJRLOA-UEWQFTGXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[C@@H](O)[C@H]1O[C@@](C[C@@H](O)[C@H]1O)(OCC=C)C(O)=O
ACDLabs 10.04O=C(O)C1(OC\C=C)OC(C(O)CO)C(O)C(O)C1
OpenEye OEToolkits 1.5.0C=CCOC1(CC(C(C(O1)C(CO)O)O)O)C(=O)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)O
CACTVS 3.341OC[CH](O)[CH]1O[C](C[CH](O)[CH]1O)(OCC=C)C(O)=O
Name:prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid;
(3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACID)-2-O-ALLYL;
prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulosidonic acid;
prop-2-en-1-yl 3-deoxy-D-manno-oct-2-ulosidonic acid;
prop-2-en-1-yl 3-deoxy-manno-oct-2-ulosidonic acid
ZINC: ZINC000005852687
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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