EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213049 - Microseiramide

ChEBI IDCHEBI:213049
ChEBI NameMicroseiramide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H56N8O9
Net Charge0
Average Mass756.902
Monoisotopic Mass756.41703
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O
InChIInChI=1S/C37H56N8O9/c1-7-21(6)30-36(53)41-25(18-46)33(50)43-29(20(4)5)37(54)45-15-11-14-26(45)34(51)39-23(16-22-12-9-8-10-13-22)31(48)42-28(19(2)3)35(52)40-24(17-27(38)47)32(49)44-30/h8-10,12-13,19-21,23-26,28-30,46H,7,11,14-18H2,1-6H3,(H2,38,47)(H,39,51)(H,40,52)(H,41,53)(H,42,48)(H,43,50)(H,44,49)/t21-,23-,24-,25-,26-,28-,29-,30-/m0/s1
InChIKeyFXQYYQRZKVKMDS-RITHUONJSA-N
Species of MetaboliteComponentSourceComments
Microseira (ncbitaxon:1609595) - PubMed (26089995)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Microseiramide (CHEBI:213049) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
2-[(3S,6S,9S,12S,15S,18S,21S)-18-benzyl-9-[(2S)-butan-2-yl]-6-(hydroxymethyl)-2,5,8,11,14,17,20-heptaoxo-3,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-12-yl]acetamide
Manual XrefsDatabases
78442078ChemSpider