CHEBI:208715 - Fusarihexin 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 Fusarihexin B
ChEBI ID CHEBI:208715
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H49N5O7
Net Charge 0
Average Mass 687.838
Monoisotopic Mass 687.36320
InChI InChI=1S/C38H49N5O7/c1-24(2)21-32-37(48)42-19-11-17-29(42)33(44)40-28(22-26-13-7-5-8-14-26)35(46)43-20-12-18-30(43)36(47)41(4)31(23-27-15-9-6-10-16-27)34(45)39-25(3)38(49)50-32/h5-10,13-16,24-25,28-32H,11-12,17-23H2,1-4H3,(H,39,45)(H,40,44)/t25-,28-,29-,30-,31-,32-/m0/s1
InChIKey JUHAMXWDBZKYKG-YBEDAUBBSA-N
SMILES O=C1O[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(N([C@H](C(N[C@H]1C)=O)CC4=CC=CC=C4)C)=O)CCC3)CC5=CC=CC=C5)CCC2)CC(C)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 Fusarihexin B (CHEBI:208715) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,12S,15S,18S,21S)-3,18-dibenzyl-15,19-dimethyl-12-(2-methylpropyl)-13-oxa-1,4,10,16,19-pentazatricyclo[19.3.0.06,10]tetracosane-2,5,11,14,17,20-hexone
Manual Xref Database
71048670 ChemSpider
View more database links