CHEBI:223036 - Bu-2470 B1

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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 B1
ChEBI ID CHEBI:223036
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H91N13O10
Net Charge 0
Average Mass 1058.381
Monoisotopic Mass 1057.70119
InChI InChI=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)
InChIKey LJOLGHKSWJYWDB-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(CC)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 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 Xref Database
78444914 ChemSpider
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