CHEBI:156268 - asperaculane G

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name asperaculane G ChEBI ID CHEBI:156268 Definition A sesquiterpenoid that is (8aR)-1,2,3,3a,4,5,8,8a-octahydroazulene substituted by a 1-carboxyethylidene group at position 1, hydroxy groups at positions 3 and 4, and methyl groups at positions 3a and 6 (the 3R,3aR,4S,8aR-diastereomer). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H22O4 Net Charge 0 Average Mass 266.337 Monoisotopic Mass 266.15181 InChI InChI=1S/C15H22O4/c1-8-4-5-11-10(9(2)14(18)19)7-13(17)15(11,3)12(16)6-8/h4,11-13,16-17H,5-7H2,1-3H3,(H,18,19)/b10-9+/t11-,12+,13-,15-/m1/s1 InChIKey SFKVYZKKPMSRCR-JBOWGTNDSA-N SMILES [H][C@]12CC=C(C)C[C@H](O)[C@]1(C)[C@H](O)C\C2=C(\C)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing asperaculane G (CHEBI:156268) has role Aspergillus metabolite (CHEBI:76956) asperaculane G (CHEBI:156268) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) asperaculane G (CHEBI:156268) is a carbobicyclic compound (CHEBI:36785) asperaculane G (CHEBI:156268) is a homoallylic alcohol (CHEBI:134362) asperaculane G (CHEBI:156268) is a sesquiterpenoid (CHEBI:26658) asperaculane G (CHEBI:156268) is conjugate acid of asperaculane G(1−) (CHEBI:155911) Incoming asperaculane G(1−) (CHEBI:155911) is conjugate base of asperaculane G (CHEBI:156268) IUPAC Name (2E)-2-[(3R,3aR,4S,8aR)-3,4-dihydroxy-3a,6-dimethyl-3,3a,4,5,8,8a-hexahydroazulen-1(2H)-ylidene]propanoic acid Synonym Source 2-[(1E,3R,3aR,4S,8aR)-3,4-dihydroxy-3a,6-dimethyl- 1,2,3,3a,4,5,8,8a-octahydroazulen-1-ylidene]propanoic acid IUPAC Citation Type Source 31618514 PubMed citation Europe PMC Last Modified 04 August 2020