EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208346 - Mortiamide A

Default Structure
ChEBI IDCHEBI:208346
ChEBI NameMortiamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H65N7O7
Net Charge0
Average Mass804.046
Monoisotopic Mass803.49455
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C44H65N7O7/c1-24(2)21-31-39(53)48-34(25(3)4)41(55)47-32(22-29-17-13-11-14-18-29)38(52)45-33(23-30-19-15-12-16-20-30)40(54)49-36(27(7)8)43(57)51-37(28(9)10)44(58)50-35(26(5)6)42(56)46-31/h11-20,24-28,31-37H,21-23H2,1-10H3,(H,45,52)(H,46,56)(H,47,55)(H,48,53)(H,49,54)(H,50,58)(H,51,57)/t31-,32+,33-,34+,35+,36+,37+/m0/s1
InChIKeyMSKMUAPCBKXDPR-LJDNFWMJSA-N
Species of MetaboliteComponentSourceComments
Mortierellaspecies (ncbitaxon:1715235) - PubMed (28921982)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mortiamide A (CHEBI:208346) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(3S,6R,9R,12S,15R,18R,21R)-3,6-dibenzyl-12-(2-methylpropyl)-9,15,18,21-tetra(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
62453189ChemSpider