CHEBI:222250 - Fumifungin

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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 Fumifungin
ChEBI ID CHEBI:222250
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H41NO7
Net Charge 0
Average Mass 431.570
Monoisotopic Mass 431.28830
InChI InChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18-,19+,20+,21-/m1/s1
InChIKey OOEOVXMORBPOKC-HQBCPPEBSA-N
SMILES O=C(O)[C@@H](N)[C@H](O)[C@H](OC(=O)C)[C@H](O)/C=C/CCCCCC[C@H](O)CCCCCC
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 Fumifungin (CHEBI:222250) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E,2S,3S,4R,5R,14R)-4-acetyloxy-2-amino-3,5,14-trihydroxyicos-6-enoic acid
Manual Xref Database
78442994 ChemSpider
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