EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205045 - Bergofungin

ChEBI IDCHEBI:205045
ChEBI NameBergofungin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H120N16O19
Net Charge0
Average Mass1525.856
Monoisotopic Mass1524.89157
SMILESCCC(C)(NC(=O)C(CCC(N)=O)NC(=O)C1CC(O)CN1C(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(NC(C)=O)C(C)C)C(C)C)C(=O)N1CC(O)CC1C(=O)NC(C)(C)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C73H120N16O19/c1-22-73(21,66(108)89-36-45(93)33-49(89)57(99)82-67(9,10)60(102)77-43(37-90)31-42-26-24-23-25-27-42)84-54(96)46(28-29-50(74)94)79-56(98)48-32-44(92)35-88(48)65(107)72(19,20)87-63(105)69(13,14)81-55(97)47(30-38(2)3)78-51(95)34-75-58(100)52(39(4)5)80-61(103)68(11,12)85-64(106)71(17,18)86-62(104)70(15,16)83-59(101)53(40(6)7)76-41(8)91/h23-27,38-40,43-49,52-53,90,92-93H,22,28-37H2,1-21H3,(H2,74,94)(H,75,100)(H,76,91)(H,77,102)(H,78,95)(H,79,98)(H,80,103)(H,81,97)(H,82,99)(H,83,101)(H,84,96)(H,85,106)(H,86,104)(H,87,105)
InChIKeyYOMNVVBADFJOPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Emericellopsis donezkii (ncbitaxon:281368) - PubMed (8823517)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bergofungin (CHEBI:205045) is a oligopeptide (CHEBI:25676)
IUPAC Name 
2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-3-methylbutanoyl)amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[1-[4-hydroxy-2-[[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxobutan-2-yl]pentanediamide
Manual XrefsDatabases
78444808ChemSpider