SEQ2FUN

BioLiP

PDB CCD ID: ZCZ
Number of entries in BioLiP: 1
Chemical formula: C11 H21 N O7
InChI: InChI=1S/C11H21NO7/c1-5-7(12-10(16)6(14)3-4-13)8(15)9(18-2)11(17)19-5/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t5-,6-,7-,8+,9+,11+/m1/s1
InChIKey: BYURRTCQJAPYFR-CWJAVHARSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CO[CH]1[CH](O)O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH]1O
OpenEye OEToolkits 1.7.6CC1C(C(C(C(O1)O)OC)O)NC(=O)C(CCO)O
CACTVS 3.370CO[C@@H]1[C@@H](O)O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C@@H]1O
ACDLabs 12.01O=C(NC1C(OC(O)C(OC)C1O)C)C(O)CCO
OpenEye OEToolkits 1.7.6C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H](CCO)O
Name:4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
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).