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BioLiP

PDB CCD ID: PH5
Number of entries in BioLiP: 3
Chemical formula: C19 H27 N O9
InChI: InChI=1S/C19H27NO9/c1-2-14(24)20-15-12(22)8-19(18(26)27,28-10-11-6-4-3-5-7-11)29-17(15)16(25)13(23)9-21/h3-7,12-13,15-17,21-23,25H,2,8-10H2,1H3,(H,20,24)(H,26,27)/t12-,13+,15+,16+,17+,19+/m0/s1
InChIKey: XDURJXFZCXMSHL-YZKZVDITSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O
CACTVS 3.341CCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
CACTVS 3.341CCC(=O)N[CH]1[CH](O)C[C](OCc2ccccc2)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCc2ccccc2)O
ACDLabs 10.04O=C(O)C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C2
Name:benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
2-PHENYL-PROP5AC;
benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosidonic acid;
benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosidonic acid
ZINC: ZINC000016051842
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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