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CHEBI:225472 - Acremonpeptide C

Default Structure
ChEBI IDCHEBI:225472
ChEBI NameAcremonpeptide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H65N9O12
Net Charge0
Average Mass924.066
Monoisotopic Mass923.47527
SMILESCC(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(C)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O
InChIInChI=1S/C45H65N9O12/c1-28(2)25-37-43(61)51-38(26-32-15-8-6-9-16-32)44(62)48-35(20-13-23-53(65)30(4)56)41(59)46-34(19-12-22-52(64)29(3)55)40(58)47-36(21-14-24-54(66)31(5)57)42(60)50-39(45(63)49-37)27-33-17-10-7-11-18-33/h6-11,15-18,28,34-39,64-66H,12-14,19-27H2,1-5H3,(H,46,59)(H,47,58)(H,48,62)(H,49,63)(H,50,60)(H,51,61)/t34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyXHQSGNPILRSDKT-BGBFCPIGSA-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 C (CHEBI:225472) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[3-[(2S,5S,8S,11S,14S,17S)-5,17-bis[3-[acetyl(hydroxy)amino]propyl]-8,14-dibenzyl-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
Manual XrefsDatabases
81163328ChemSpider