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> Main
CHEBI:70137 - smenospongines C
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ChEBI Ontology
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ChEBI Name
smenospongines C
ChEBI ID
CHEBI:70137
Definition
A sesquiterpenoid isolated from the marine sponge
Dactylospongia elegans
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H33NO5
Net Charge
0
Average Mass
415.52250
Monoisotopic Mass
415.23587
InChI
InChI=1S/C24H33NO5/c1-
14-
6-
5-
7-
19-
23(14,3)
10-
8-
15(2)
24(19,4)
13-
16-
21(29)
17(12-
18(26)
22(16)
30)
25-
11-
9-
20(27)
28/h12,15,19,25,30H,1,5-
11,13H2,2-
4H3,(H,27,28)
/t15-
,19+,23+,24+/m0/s1
InChIKey
ADOWBZYFYUOPDL-ZZWUPXSGSA-N
SMILES
C[C@H]1CC[C@@]2(C)[C@@H](CCCC2=C)[C@]1(C)CC1=C(O)C(=O)C=C(NCCC(O)=O)C1=O
Metabolite of Species
Details
Dactylospongia elegans
(NCBI:txid1162779)
Methanolic extract of freeze-dried sponge material See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
smenospongines C (
CHEBI:70137
)
has role
animal metabolite (
CHEBI:75767
)
smenospongines C (
CHEBI:70137
)
has role
marine metabolite (
CHEBI:76507
)
smenospongines C (
CHEBI:70137
)
is a
β-amino acid (
CHEBI:33706
)
smenospongines C (
CHEBI:70137
)
is a
enol (
CHEBI:33823
)
smenospongines C (
CHEBI:70137
)
is a
monocarboxylic acid (
CHEBI:25384
)
smenospongines C (
CHEBI:70137
)
is a
monohydroxy-1,4-benzoquinones (
CHEBI:67273
)
smenospongines C (
CHEBI:70137
)
is a
sesquiterpenoid (
CHEBI:26658
)
IUPAC Name
N
-
(4-
hydroxy-
3,6-
dioxo-
5-
{[(1
R
,2
S
,4a
S
,8a
S
)-
1,2,4a-
trimethyl-
5-
methylidenedecahydronaphthalen-
1-
yl]methyl}cyclohexa-
1,4-
dien-
1-
yl)-
β-
alanine
Registry Number
Type
Source
21223295
Reaxys Registry Number
Reaxys
Citation
Type
Source
21155589
PubMed citation
Europe PMC
Last Modified
06 June 2016