EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214152 - Aureobasidin-U1

ChEBI IDCHEBI:214152
ChEBI NameAureobasidin-U1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H90N8O11
Net Charge0
Average Mass1087.414
Monoisotopic Mass1086.67291
SMILESCCC(C)C1NC(=O)C2CCCN2C(=O)C(C(O)c2ccccc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)OC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)NC(=O)C(C(C)CC)N(C)C1=O
InChIInChI=1S/C59H90N8O11/c1-16-37(11)45-57(75)65(14)47(38(12)17-2)53(71)61-41(31-33(3)4)55(73)64(13)46(35(7)8)59(77)78-50(36(9)10)54(72)62-44(34(5)6)52(70)60-42(32-39-25-20-18-21-26-39)56(74)66(15)48(49(68)40-27-22-19-23-28-40)58(76)67-30-24-29-43(67)51(69)63-45/h18-23,25-28,33-38,41-50,68H,16-17,24,29-32H2,1-15H3,(H,60,70)(H,61,71)(H,62,72)(H,63,69)
InChIKeyIVGJUXOSSHPVPV-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-U1 (CHEBI:214152) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
6-benzyl-21,24-di(butan-2-yl)-3-[hydroxy(phenyl)methyl]-4,16,22-trimethyl-18-(2-methylpropyl)-9,12,15-tri(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
78444414ChemSpider