CHEBI:218809 - Bu-2470 B2a

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bu-2470 B2a
ChEBI ID CHEBI:218809
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H89N13O10
Net Charge 0
Average Mass 1044.354
Monoisotopic Mass 1043.68554
InChI InChI=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)
InChIKey WRSQXBBPZQBRSI-UHFFFAOYSA-N
SMILES O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(CCN)C(NC(C(NC(C(NCCC1NC(=O)C(NC(=O)CC(O)CCCCC(C)C)CCN)=O)CC(C)C)=O)CCN)=O)CC(C)C)CC2=CC=CC=C2)CCN
Metabolite of Species Details
Bacillus (NCBI:txid1386) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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