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CHEBI:223036 - Bu-2470 B1

ChEBI IDCHEBI:223036
ChEBI NameBu-2470 B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H91N13O10
Net Charge0
Average Mass1058.381
Monoisotopic Mass1057.70119
SMILESCCC(C)CCCCC(O)CC(=O)NC(CCN)C(=O)NC1CCNC(=O)C(CC(C)C)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O
InChIInChI=1S/C52H91N13O10/c1-7-33(6)13-11-12-16-35(66)30-44(67)58-36(17-22-53)46(69)62-40-21-26-57-45(68)41(27-31(2)3)63-48(71)38(19-24-55)59-47(70)37(18-23-54)61-51(74)42(28-32(4)5)64-52(75)43(29-34-14-9-8-10-15-34)65-49(72)39(20-25-56)60-50(40)73/h8-10,14-15,31-33,35-43,66H,7,11-13,16-30,53-56H2,1-6H3,(H,57,68)(H,58,67)(H,59,70)(H,60,73)(H,61,74)(H,62,69)(H,63,71)(H,64,75)(H,65,72)
InChIKeyLJOLGHKSWJYWDB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (6874584)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bu-2470 B1 (CHEBI:223036) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-8-methyldecanamide
Manual XrefsDatabases
78444914ChemSpider