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BioLiP

PDB CCD ID: 49V
Number of entries in BioLiP: 0
Chemical formula: C8 H11 N O6
InChI: InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6-,8?/m0/s1
InChIKey: AHFZYQXMAHOUES-WGFRLMHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(=O)NC1C(C=C(OC1O)C(=O)O)O
ACDLabs 12.01O=C(O)C=1OC(O)C(NC(=O)C)C(O)C=1
CACTVS 3.385CC(=O)N[C@@H]1[C@H](O)OC(=C[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.9.2CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)OC(=C[CH]1O)C(O)=O
Name:2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enuronic acid;
2-acetamido-2,4-dideoxy-L-erythro-hex-4-enuronic acid;
2-acetamido-2,4-dideoxy-erythro-hex-4-enuronic acid
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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