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CHEBI:225466 - Acremonpeptide B

ChEBI IDCHEBI:225466
ChEBI NameAcremonpeptide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H61N9O12
Net Charge0
Average Mass847.968
Monoisotopic Mass847.44397
SMILESCC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C39H61N9O12/c1-23(2)21-32-38(56)45-33(22-28-13-8-7-9-14-28)39(57)43-31(17-12-20-48(60)27(6)51)37(55)42-30(16-11-19-47(59)26(5)50)36(54)41-29(15-10-18-46(58)25(4)49)35(53)40-24(3)34(52)44-32/h7-9,13-14,23-24,29-33,58-60H,10-12,15-22H2,1-6H3,(H,40,53)(H,41,54)(H,42,55)(H,43,57)(H,44,52)(H,45,56)/t24-,29-,30-,31-,32-,33-/m0/s1
InChIKeyOYHIMWDFLNYBRE-QOEOITBWSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (31503476)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acremonpeptide B (CHEBI:225466) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[3-[(2S,5S,8S,11S,14S,17S)-14,17-bis[3-[acetyl(hydroxy)amino]propyl]-11-benzyl-5-methyl-8-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
Manual XrefsDatabases
81163327ChemSpider