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CHEBI:223029 - Bu-2470 B2b

ChEBI IDCHEBI:223029
ChEBI NameBu-2470 B2b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H89N13O10
Net Charge0
Average Mass1044.354
Monoisotopic Mass1043.68554
SMILESCCCCCCCC(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/C51H89N13O10/c1-6-7-8-9-13-16-34(65)30-43(66)57-35(17-22-52)45(68)61-39-21-26-56-44(67)40(27-31(2)3)62-47(70)37(19-24-54)58-46(69)36(18-23-53)60-50(73)41(28-32(4)5)63-51(74)42(29-33-14-11-10-12-15-33)64-48(71)38(20-25-55)59-49(39)72/h10-12,14-15,31-32,34-42,65H,6-9,13,16-30,52-55H2,1-5H3,(H,56,67)(H,57,66)(H,58,69)(H,59,72)(H,60,73)(H,61,68)(H,62,70)(H,63,74)(H,64,71)
InChIKeyCSZHCBAEEWWDDZ-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 B2b (CHEBI:223029) 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-hydroxydecanamide
Manual XrefsDatabases
78444913ChemSpider