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BioLiP

PDB CCD ID: WQP
Number of entries in BioLiP: 1
Chemical formula: C11 H22 N O12 P
InChI: InChI=1S/C11H22NO12P/c1-4(14)12-8(10(18)9(17)6(16)3-13)5(15)2-7(11(19)20)24-25(21,22)23/h5-10,13,15-18H,2-3H2,1H3,(H,12,14)(H,19,20)(H2,21,22,23)/t5-,6+,7+,8+,9+,10+/m0/s1
InChIKey: SQZISPQQTAMDAM-IHICSVBISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(=O)NC(C(CC(C(=O)O)OP(=O)(O)O)O)C(C(C(CO)O)O)O
OpenEye OEToolkits 1.6.1CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O
ACDLabs 10.04O=P(O)(O)OC(C(=O)O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO
CACTVS 3.352CC(=O)N[CH]([CH](O)C[CH](O[P](O)(O)=O)C(O)=O)[CH](O)[CH](O)[CH](O)CO
CACTVS 3.352CC(=O)N[C@H]([C@@H](O)C[C@@H](O[P](O)(O)=O)C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO
Name:5-(ACETYLAMINO)-3,5-DIDEOXY-2-O-PHOSPHONO-D-ERYTHRO-L-MANNO-NONONIC ACID
ZINC: ZINC000058649955
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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