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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI 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
ChEBI ID CHEBI:59525
ChEBI ASCII 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
Definition A trans-fused organic heterotetracyclic compound consisting of two fused pyran rings flanked by two oxepan rings.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H24O7
Net Charge 0
Average Mass 340.36830
Monoisotopic Mass 340.15220
InChI InChI=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
InChIKey VJZKPEAYONAPBB-MRBBLFKKSA-N
SMILES [H][C@]12C[C@@]3([H])O[C@@]4([H])CC=CCO[C@]4([H])[C@@H](O)[C@]3([H])O[C@]1([H])C=C[C@H](O)[C@@H](CO)O2
Roles Classification
Biological Role(s): 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.
(via 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
2Z93 PDB
END PDBeChem
View more database links
Registry Number Type Source
9432375 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12812503 PubMed citation Europe PMC
18463096 PubMed citation Europe PMC
19523973 PubMed citation Europe PMC
Last Modified
19 December 2016
General Comment
2011-02-07 Corresponds to the ABCD ring fragment of marine ciguatoxins.