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CHEBI:140259 - sordaricin

Default Structure
ChEBI IDCHEBI:140259
ChEBI Namesordaricin
Stars
DefinitionA tetracyclic diterpenoid that is produced by several fungi including Sordaria araneosa.
Last Modified1 March 2018
SubmitterSteve
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILES[H][C@@]12CC[C@@H](C)[C@@]1([H])C[C@@]1(CO)[C@]3(C(=O)O)C(C(C)C)=C[C@@]1([H])C[C@]23C=O
InChIInChI=1S/C20H28O4/c1-11(2)16-6-13-7-19(10-22)15-5-4-12(3)14(15)8-18(13,9-21)20(16,19)17(23)24/h6,10-15,21H,4-5,7-9H2,1-3H3,(H,23,24)/t12-,13+,14-,15-,18+,19+,20-/m1/s1
InChIKeyQIMCUSGGYZHVEF-VULLPXFTSA-N
Species of MetaboliteComponentSourceComments
Podospora pleiospora (ncbitaxon:261701) - PubMed (16018317)
Xylaria sp. (ncbitaxon:1715255) - PubMed (18495187) Strain: PSU-D14
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
sordaricin (CHEBI:140259) has role antifungal agent (CHEBI:35718)
sordaricin (CHEBI:140259) has role fungal metabolite (CHEBI:76946)
sordaricin (CHEBI:140259) is a 3-oxo monocarboxylic acid (CHEBI:47881)
sordaricin (CHEBI:140259) is a aldehyde (CHEBI:17478)
sordaricin (CHEBI:140259) is a bridged compound (CHEBI:35990)
sordaricin (CHEBI:140259) is a primary alcohol (CHEBI:15734)
sordaricin (CHEBI:140259) is a tetracyclic diterpenoid (CHEBI:52557)
sordaricin (CHEBI:140259) is conjugate acid of sordaricin(1−) (CHEBI:140232)
Incoming Relation(s)
sordaricin(1−) (CHEBI:140232) is conjugate base of sordaricin (CHEBI:140259)
IUPAC Name 
(1R,3aR,4S,4aR,7R,7aR,8aS)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
Synonym  Source
(-)-SordaricinKNApSAcK
Manual XrefsDatabases
C00034268KNApSAcK
Registry NumbersSources
Reaxys:8005741Reaxys
CAS:51493-69-7ChemIDplus
Citations