EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:204523 - Anteiso-C17 bacillomycin D

ChEBI IDCHEBI:204523
ChEBI NameAnteiso-C17 bacillomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H80N10O15
Net Charge0
Average Mass1073.256
Monoisotopic Mass1072.58046
SMILESCCC(C)CCCCCCCCCC[C@@H]1CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CO)C(=O)N[C@@H](C(C)O)C(=O)N1
InChIInChI=1S/C51H80N10O15/c1-4-29(2)14-11-9-7-5-6-8-10-12-15-32-25-42(67)55-36(26-40(52)65)47(72)57-35(24-31-17-19-33(64)20-18-31)46(71)58-37(27-41(53)66)51(76)61-23-13-16-39(61)49(74)56-34(21-22-43(68)69)45(70)59-38(28-62)48(73)60-44(30(3)63)50(75)54-32/h17-20,29-30,32,34-39,44,62-64H,4-16,21-28H2,1-3H3,(H2,52,65)(H2,53,66)(H,54,75)(H,55,67)(H,56,74)(H,57,72)(H,58,71)(H,59,70)(H,60,73)(H,68,69)/t29?,30?,32-,34+,35-,36+,37-,38-,39+,44+/m1/s1
InChIKeyZUUBJNJPFAIYLD-QIPBMDSUSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (24548079)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anteiso-C17 bacillomycin D (CHEBI:204523) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(3R,6R,9S,13R,16S,19R,22S,25S)-3,9-bis(2-amino-2-oxoethyl)-16-(1-hydroxyethyl)-19-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-13-(11-methyltridecyl)-2,5,8,11,15,18,21,24-octaoxo-1,4,7,10,14,17,20,23-octazabicyclo[23.3.0]octacosan-22-yl]propanoic acid
Manual XrefsDatabases
78437152ChemSpider