CHEBI:201157 - Fusaristatin 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 Fusaristatin A
ChEBI ID CHEBI:201157
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H58N4O7
Net Charge 0
Average Mass 658.881
Monoisotopic Mass 658.43055
InChI InChI=1S/C36H58N4O7/c1-8-9-10-11-13-23(2)14-12-15-24(3)16-19-30(41)25(4)17-20-31-27(6)34(44)39-28(7)35(45)38-22-26(5)33(43)40-29(36(46)47-31)18-21-32(37)42/h15-16,19,23,25-27,29,31H,7-14,17-18,20-22H2,1-6H3,(H2,37,42)(H,38,45)(H,39,44)(H,40,43)/b19-16+,24-15+
InChIKey MNMRSBPSTNMOQK-MAUBWLBLSA-N
SMILES O=C1NCC(C(=O)NC(C(=O)OC(C(C(NC1=C)=O)C)CCC(C(=O)/C=C/C(=C/CCC(CCCCCC)C)/C)C)CCC(=O)N)C
Metabolite of Species Details
Fusariumspecies (NCBI:txid29916) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Fusaristatin A (CHEBI:201157) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
3-[6,13-dimethyl-10-methylidene-2,5,9,12-tetraoxo-14-[(5E,7E)-3,7,11-trimethyl-4-oxoheptadeca-5,7-dienyl]-1-oxa-4,8,11-triazacyclotetradec-3-yl]propanamide
Manual Xref Database
28284183 ChemSpider
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