SEQ2FUN

BioLiP

PDB CCD ID: KTU
Number of entries in BioLiP: 1
Chemical formula: C11 H16 O7
InChI: InChI=1S/C11H16O7/c1-2-3-17-11(10(15)16)5-7(13)4-9(18-11)8(14)6-12/h2,4,7-8,12-14H,1,3,5-6H2,(H,15,16)/t7-,8+,11+/m0/s1
InChIKey: SDKKPKVWEQUWPM-VAOFZXAKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)C(=O)O
ACDLabs 12.01C=C\COC1(C(O)=O)OC(C(CO)O)=CC(C1)O
CACTVS 3.385OC[C@@H](O)C1=C[C@H](O)C[C@@](OCC=C)(O1)C(O)=O
CACTVS 3.385OC[CH](O)C1=C[CH](O)C[C](OCC=C)(O1)C(O)=O
OpenEye OEToolkits 2.0.7C=CCOC1(CC(C=C(O1)C(CO)O)O)C(=O)O
Name:prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid;
prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulosidonic acid;
prop-2-en-1-yl 3,5-dideoxy-D-threo-oct-5-en-2-ulosidonic acid;
prop-2-en-1-yl 3,5-dideoxy-threo-oct-5-en-2-ulosidonic acid
ZINC: ZINC000098209088
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).