CHEBI:205473 - Paecilonic acid B

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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 Paecilonic acid B
ChEBI ID CHEBI:205473
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H44O5
Net Charge 0
Average Mass 412.611
Monoisotopic Mass 412.31887
InChI InChI=1S/C24H44O5/c1-2-3-4-5-6-7-8-9-10-14-19-24-22(25)18-17-21(29-24)20(28-24)15-12-11-13-16-23(26)27/h20-22,25H,2-19H2,1H3,(H,26,27)/t20-,21+,22-,24-/m1/s1
InChIKey LHIHPWQSBJXWDE-JTOYRKQZSA-N
SMILES O=C(O)CCCCC[C@H]1O[C@]2([C@H](O)CC[C@@H]1O2)CCCCCCCCCCCC
Metabolite of Species Details
Paecilomyces var.otii (NCBI:txid264951) 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 Paecilonic acid B (CHEBI:205473) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
6-[(1S,4R,5R,7R)-5-dodecyl-4-hydroxy-6,8-dioxabicyclo[3.2.1]octan-7-yl]hexanoic acid
Manual Xref Database
58196685 ChemSpider
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