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CHEBI:169999 - stellatic acid

ChEBI IDCHEBI:169999
ChEBI Namestellatic acid
Stars
DefinitionA sesterterpenoid with formula C25H38O2 which is isolated from the fungus Emericella variecolor.
Last Modified22 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC25H38O2
Net Charge0
Average Mass370.577
Monoisotopic Mass370.28718
SMILES[H][C@@]12CC/C(C)=C/CC/C(C(=O)O)=C/C[C@@]1(C)CC[C@]1([H])[C@@H](C(=C)C)CC[C@@]21C
InChIInChI=1S/C25H38O2/c1-17(2)20-12-16-25(5)21(20)13-15-24(4)14-11-19(23(26)27)8-6-7-18(3)9-10-22(24)25/h7,11,20-22H,1,6,8-10,12-16H2,2-5H3,(H,26,27)/b18-7+,19-11-/t20-,21-,22-,24+,25-/m1/s1
InChIKeyFSKFLBQJBSQQKA-DMZCBJAKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - PubMed (15612624) Species also known as Emericella variecolor.
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
stellatic acid (CHEBI:169999) has role Aspergillus metabolite (CHEBI:76956)
stellatic acid (CHEBI:169999) is a carbotricyclic compound (CHEBI:38032)
stellatic acid (CHEBI:169999) is a monocarboxylic acid (CHEBI:25384)
stellatic acid (CHEBI:169999) is a polycyclic olefin (CHEBI:35714)
stellatic acid (CHEBI:169999) is a sesterterpenoid (CHEBI:26660)
stellatic acid (CHEBI:169999) is conjugate acid of stellatate (CHEBI:167454)
Incoming Relation(s)
stellatate (CHEBI:167454) is conjugate base of stellatic acid (CHEBI:169999)
IUPAC Name 
(3S,3aR,5aR,7Z,11E,14aR,14bR)-5a,12,14b-trimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]indene-8-carboxylic acid
Manual XrefsDatabases
C21704KEGG COMPOUND
35517211ChemSpider
Citations