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CHEBI:225477 - Acremonpeptide D

ChEBI IDCHEBI:225477
ChEBI NameAcremonpeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H66N10O12
Net Charge0
Average Mass963.103
Monoisotopic Mass962.48617
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](Cc2cnc3ccccc23)NC(=O)[C@H](CCCN(O)C(C)=O)NC1=O
InChIInChI=1S/C47H66N10O12/c1-28(2)24-39-45(64)53-40(25-32-14-7-6-8-15-32)46(65)51-37(19-12-22-56(68)30(4)59)43(62)49-36(18-11-21-55(67)29(3)58)42(61)50-38(20-13-23-57(69)31(5)60)44(63)54-41(47(66)52-39)26-33-27-48-35-17-10-9-16-34(33)35/h6-10,14-17,27-28,36-41,48,67-69H,11-13,18-26H2,1-5H3,(H,49,62)(H,50,61)(H,51,65)(H,52,66)(H,53,64)(H,54,63)/t36-,37-,38-,39-,40-,41-/m0/s1
InChIKeyKWVCHBVONBHSCM-SKGSPYGFSA-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 D (CHEBI:225477) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-[3-[(2S,5S,8S,11S,14S,17S)-5,17-bis[3-[acetyl(hydroxy)amino]propyl]-14-benzyl-8-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
Manual XrefsDatabases
81163329ChemSpider