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CHEBI:203669 - Aureobasidin-U2

ChEBI IDCHEBI:203669
ChEBI NameAureobasidin-U2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H88N8O11
Net Charge0
Average Mass1073.387
Monoisotopic Mass1072.65726
SMILESCCC(C)C1C(=O)NC(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)OC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)C(=O)N(C)C(C(O)c2ccccc2)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)N1C
InChIInChI=1S/C58H88N8O11/c1-16-37(12)46-52(70)60-40(30-32(2)3)54(72)63(13)45(35(8)9)58(76)77-49(36(10)11)53(71)61-43(33(4)5)51(69)59-41(31-38-24-19-17-20-25-38)55(73)65(15)47(48(67)39-26-21-18-22-27-39)57(75)66-29-23-28-42(66)50(68)62-44(34(6)7)56(74)64(46)14/h17-22,24-27,32-37,40-49,67H,16,23,28-31H2,1-15H3,(H,59,69)(H,60,70)(H,61,71)(H,62,68)
InChIKeyUTZDHXIEFZQEIN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aureobasidium (ncbitaxon:5579) - PubMed (7622442)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aureobasidin-U2 (CHEBI:203669) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
6-benzyl-21-butan-2-yl-3-[hydroxy(phenyl)methyl]-4,16,22-trimethyl-18-(2-methylpropyl)-9,12,15,24-tetra(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone
Manual XrefsDatabases
78444056ChemSpider