CHEBI:224483 - Penixylarin D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penixylarin D
ChEBI ID CHEBI:224483
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H40O8S
Net Charge 0
Average Mass 488.640
Monoisotopic Mass 488.24439
InChI InChI=1S/C24H40O8S/c1-2-3-11-15-21(32-33(29,30)31)16-13-10-8-6-4-5-7-9-12-14-19-17-20(25)18-22(26)23(19)24(27)28/h17-18,21,25-26H,2-16H2,1H3,(H,27,28)(H,29,30,31)/t21-/m0/s1
InChIKey KFMWPCQMXUAMMV-NRFANRHFSA-N
SMILES S(=O)(=O)(O[C@H](CCCCCCCCCCCC1=C(C(O)=CC(=C1)O)C(=O)O)CCCCC)O
Metabolite of Species Details
Xylaria (NCBI:txid37991) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Penixylarin D (CHEBI:224483) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
2,4-dihydroxy-6-[(12S)-12-sulooxyheptadecyl]benzoic acid
Manual Xref Database
77001601 ChemSpider
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