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CHEBI:208708 - Fusarihexin A

ChEBI IDCHEBI:208708
ChEBI NameFusarihexin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H55N5O8
Net Charge0
Average Mass866.028
Monoisotopic Mass865.40506
SMILESCC(C)C[C@@H]1OC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C51H55N5O8/c1-33(2)27-45-50(62)55-43(31-38-23-25-39(57)26-24-38)48(60)53-41(29-35-17-9-4-10-18-35)46(58)52-40(28-34-15-7-3-8-16-34)47(59)54-42(30-36-19-11-5-12-20-36)49(61)56-44(51(63)64-45)32-37-21-13-6-14-22-37/h3-26,33,40-45,57H,27-32H2,1-2H3,(H,52,58)(H,53,60)(H,54,59)(H,55,62)(H,56,61)/t40-,41-,42-,43+,44-,45-/m0/s1
InChIKeyHKFUVFCXZWXWEF-CPPKSIGKSA-N
Species of MetaboliteComponentSourceComments
Fusariumspecies (ncbitaxon:29916) - PubMed (29954027)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fusarihexin A (CHEBI:208708) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,12S,15R,18S)-3,6,9,12-tetrabenzyl-15-[(4-hydroxyphenyl)methyl]-18-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone
Manual XrefsDatabases
71048669ChemSpider