CHEBI:69283 - Halisulfate 2

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ChEBI Name Halisulfate 2
ChEBI ID CHEBI:69283
Definition A natural product found in Coscinoderma species.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H39NaO5S
Net Charge 0
Average Mass 474.62900
Monoisotopic Mass 474.24159
InChI InChI=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
InChIKey AWFRDBFYOVFNAL-XZBXZNDTSA-M
SMILES [Na+].C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O
Metabolite of Species Details
Coscinoderma (NCBI:txid1162776) Methanol and methylene dichloride extract of lyophilized and macerated sponge See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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]sulfate ChEBI
Citation Waiting for Citations Type Source
21827183 PubMed citation Europe PMC