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CHEBI:218809 - Bu-2470 B2a

ChEBI IDCHEBI:218809
ChEBI NameBu-2470 B2a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H89N13O10
Net Charge0
Average Mass1044.354
Monoisotopic Mass1043.68554
SMILESCC(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/C51H89N13O10/c1-30(2)12-10-11-15-34(65)29-43(66)57-35(16-21-52)45(68)61-39-20-25-56-44(67)40(26-31(3)4)62-47(70)37(18-23-54)58-46(69)36(17-22-53)60-50(73)41(27-32(5)6)63-51(74)42(28-33-13-8-7-9-14-33)64-48(71)38(19-24-55)59-49(39)72/h7-9,13-14,30-32,34-42,65H,10-12,15-29,52-55H2,1-6H3,(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)
InChIKeyWRSQXBBPZQBRSI-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 B2a (CHEBI:218809) 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-methylnonanamide