EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207043 - Aureobasidin-T4

ChEBI IDCHEBI:207043
ChEBI NameAureobasidin-T4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H92N8O11
Net Charge0
Average Mass1101.441
Monoisotopic Mass1100.68856
SMILESCCC(C)C1NC(=O)C2CCCN2C(=O)C(C(O)c2ccccc2)N(C)C(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)N(C)C(=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/C60H92N8O11/c1-17-38(11)45-57(75)66(15)48(39(12)18-2)54(72)61-42(32-34(3)4)55(73)65(14)47(36(7)8)60(78)79-51(37(9)10)59(77)64(13)46(35(5)6)53(71)62-43(33-40-26-21-19-22-27-40)56(74)67(16)49(50(69)41-28-23-20-24-29-41)58(76)68-31-25-30-44(68)52(70)63-45/h19-24,26-29,34-39,42-51,69H,17-18,25,30-33H2,1-16H3,(H,61,72)(H,62,71)(H,63,70)
InChIKeyUKMQYMDKNIWCBR-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-T4 (CHEBI:207043) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
6-benzyl-21,24-di(butan-2-yl)-3-[hydroxy(phenyl)methyl]-4,10,16,22-tetramethyl-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
78444129ChemSpider