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CHEBI:214983 - Aureobasidin-T3

ChEBI IDCHEBI:214983
ChEBI NameAureobasidin-T3
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(CC(C)C)N(C)C1=O
InChIInChI=1S/C60H92N8O11/c1-17-39(12)46-57(75)64(13)45(32-35(4)5)53(71)61-42(31-34(2)3)55(73)66(15)48(37(8)9)60(78)79-51(38(10)11)59(77)65(14)47(36(6)7)54(72)62-43(33-40-25-20-18-21-26-40)56(74)67(16)49(50(69)41-27-22-19-23-28-41)58(76)68-30-24-29-44(68)52(70)63-46/h18-23,25-28,34-39,42-51,69H,17,24,29-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)
InChIKeyWOLXHWJXSQBTRO-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-T3 (CHEBI:214983) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
6-benzyl-24-butan-2-yl-3-[hydroxy(phenyl)methyl]-4,10,16,22-tetramethyl-18,21-bis(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
78444307ChemSpider