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CHEBI:59525 - 1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol

ChEBI IDCHEBI:59525
ChEBI Name1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol
Stars
ASCII Name1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol
DefinitionA trans-fused organic heterotetracyclic compound consisting of two fused pyran rings flanked by two oxepan rings.
Last Modified19 December 2016
SubmitterSteve
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILES[H][C@@]12C=C[C@H](O)[C@@H](CO)O[C@@]1([H])C[C@@]1([H])O[C@@]3([H])CC=CCO[C@]3([H])[C@@H](O)[C@]1([H])O2
InChIInChI=1S/C17H24O7/c18-8-14-9(19)4-5-10-12(23-14)7-13-17(24-10)15(20)16-11(22-13)3-1-2-6-21-16/h1-2,4-5,9-20H,3,6-8H2/t9-,10+,11-,12-,13+,14+,15+,16-,17+/m0/s1
InChIKeyVJZKPEAYONAPBB-MRBBLFKKSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol (CHEBI:59525) has role epitope (CHEBI:53000)
1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol (CHEBI:59525) is a organic heterotetracyclic compound (CHEBI:38163)
1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol (CHEBI:59525) is a polycyclic ether (CHEBI:36468)
IUPAC Name 
1,6:5,9:8,12:11,16-tetraanhydro-2,3,4,10,13,14-hexadeoxy-D-glycero-D-allo-D-gulo-heptadeca-2,13-dienitol
Manual XrefsDatabases
2Z93PDB
ENDPDBeChem
Registry NumbersSources
Reaxys:9432375Reaxys
Citations