CHEBI:214030 - Aspericacid A

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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 Aspericacid A
ChEBI ID CHEBI:214030
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26O4
Net Charge 0
Average Mass 282.380
Monoisotopic Mass 282.18311
InChI InChI=1S/C16H26O4/c1-10(9-12(3)15(18)19)8-11(2)14-6-7-16(5,20-14)13(4)17/h8,10,12,14H,6-7,9H2,1-5H3,(H,18,19)/b11-8+/t10-,12-,14+,16+/m0/s1
InChIKey RQMATXOEBLWDAQ-AXXXBYNLSA-N
SMILES O=C(O)[C@H](C[C@H](/C=C(/[C@@H]1O[C@](C(=O)C)(C)CC1)\C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) 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 Aspericacid A (CHEBI:214030) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(E,2S,4R)-6-[(2R,5R)-5-acetyl-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid
Manual Xref Database
99740739 ChemSpider
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