SEQ2FUN

BioLiP

PDB CCD ID: A1CAZ
Number of entries in BioLiP: 4
Chemical formula: C12 H18 N2 O8
InChI: InChI=1S/C12H18N2O8/c1-4(15)13-7-8(14-5(2)16)12(20)22-10(11(18)19)9(7)21-6(3)17/h7-10,12,20H,1-3H3,(H,13,15)(H,14,16)(H,18,19)/t7-,8+,9+,10+,12-/m1/s1
InChIKey: HTLNSXWBVAGZRH-UWKFXHKCSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52OC1OC(C(OC(C)=O)C(NC(C)=O)C1NC(C)=O)C(=O)O
OpenEye OEToolkits 3.1.0.0CC(=O)N[C@@H]1[C@@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)C(=O)O)O)NC(=O)C
CACTVS 3.385CC(=O)N[CH]1[CH](O)O[CH]([CH](OC(C)=O)[CH]1NC(C)=O)C(O)=O
CACTVS 3.385CC(=O)N[C@@H]1[C@H](O)O[C@@H]([C@@H](OC(C)=O)[C@@H]1NC(C)=O)C(O)=O
OpenEye OEToolkits 3.1.0.0CC(=O)NC1C(C(OC(C1OC(=O)C)C(=O)O)O)NC(=O)C
Name:2,3-diacetamido-4-O-acetyl-2,3-dideoxy-beta-D-mannopyranuronic acid
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).