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CHEBI:140259 - sordaricin

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:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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