CHEBI:198802 - Fusaristatin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 B
ChEBI ID CHEBI:198802
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H59N3O8
Net Charge 0
Average Mass 673.892
Monoisotopic Mass 673.43022
InChI InChI=1S/C37H59N3O8/c1-8-9-10-11-14-24(2)15-12-16-25(3)19-21-31(41)26(4)20-22-32-28(6)35(45)39-29(7)36(46)38-23-27(5)34(44)40-30(37(47)48-32)17-13-18-33(42)43/h16,19,21,24,26-28,30,32H,7-15,17-18,20,22-23H2,1-6H3,(H,38,46)(H,39,45)(H,40,44)(H,42,43)/b21-19+,25-16+
InChIKey GPCDCSLJICCCRP-KCBOQBCRSA-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)CCCC(=O)O)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 B (CHEBI:198802) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
4-[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]butanoic acid
Manual Xref Database
17627956 ChemSpider
View more database links