CHEBI:70137 - smenospongines C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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 (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted 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-{[(1R,2S,4aS,8aS)-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 Waiting for Citations Type Source
21155589 PubMed citation Europe PMC
Last Modified
06 June 2016