CHEBI:214329 - Fusarielin I

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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 Fusarielin I
ChEBI ID CHEBI:214329
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.494
Monoisotopic Mass 360.23006
InChI InChI=1S/C22H32O4/c1-6-14(3)19-17(9-7-8-15(4)21(24)25)16-11-10-13(2)12-18(16)20(23)22(19,5)26/h6-9,13,16-19,26H,10-12H2,1-5H3,(H,24,25)/b9-7+,14-6+,15-8+/t13-,16-,17-,18+,19-,22-/m0/s1
InChIKey GVNQXZBVWDAWQB-CJMDXQGYSA-N
SMILES O=C1[C@@](O)([C@@H](/C(=C/C)/C)[C@@H](/C=C/C=C(/C(=O)O)\C)[C@H]2[C@H]1C[C@@H](C)CC2)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
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 Fusarielin I (CHEBI:214329) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name
(2E,4E)-5-[(1S,2R,3S,4aR,6S,8aS)-2-[(E)-but-2-en-2-yl]-3-hydroxy-3,6-dimethyl-4-oxo-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-2-methylpenta-2,4-dienoic acid
Manual Xref Database
40256498 ChemSpider
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