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CHEBI:69283 - Halisulfate 2

Default Structure
ChEBI IDCHEBI:69283
ChEBI NameHalisulfate 2
Stars
DefinitionA natural product found in Coscinoderma species.
DownloadsMolfile
FormulaC25H39O5S.Na
Net Charge0
Average Mass474.639
Monoisotopic Mass474.24159
SMILESCC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/CCC(CCCc1ccoc1)COS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C25H40O5S.Na/c1-20(14-16-25(4)21(2)9-6-10-22(25)3)8-5-11-23(19-30-31(26,27)28)12-7-13-24-15-17-29-18-24;/h8-9,15,17-18,22-23H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28);/q;+1/p-1/b20-8+;/t22-,23?,25-;/m1./s1
InChIKeyAWFRDBFYOVFNAL-XZBXZNDTSA-M
Species of MetaboliteComponentSourceComments
Coscinoderma (ncbitaxon:1162776) - PubMed (21827183) Methanol and methylene dichloride extract of lyophilized and macerated sponge
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Halisulfate 2 (CHEBI:69283) has role metabolite (CHEBI:25212)
Halisulfate 2 (CHEBI:69283) is a organic molecular entity (CHEBI:50860)
Synonym  Source
sodium[(E)-2-[3-(furan-3-yl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]oct-5-enyl]sulfateChEBI
Citations