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> Main
CHEBI:69283 - Halisulfate 2
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ChEBI Ontology
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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.
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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
Type
Source
21827183
PubMed citation
Europe PMC