CHEBI:201345 - Isoharzianic acid

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ChEBI Name Isoharzianic acid
ChEBI ID CHEBI:201345
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H27NO6
Net Charge 0
Average Mass 365.426
Monoisotopic Mass 365.18384
InChI InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/t13-,19?/m1/s1
InChIKey FQSWTHMMNDRFAI-BSOCMFCZSA-N
SMILES O=C1N([C@H](CC(O)(C(=O)O)C(C)C)C(C1=C(O)C=CC=CCCC)=O)C
Metabolite of Species Details
Trichodermaspecies (NCBI:txid1715253) 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 Isoharzianic acid (CHEBI:201345) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
2-hydroxy-2-[[(2R)-4-(1-hydroxyocta-2,4-dienylidene)-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-3-methylbutanoic acid