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CHEBI:198138 - Koranimine

ChEBI IDCHEBI:198138
ChEBI NameKoranimine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H65N7O7
Net Charge0
Average Mass804.046
Monoisotopic Mass803.49455
SMILESCC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)N=C[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC1=O
InChIInChI=1S/C44H65N7O7/c1-25(2)20-32-39(53)47-35(23-31-18-14-11-15-19-31)42(56)51-37(28(7)8)43(57)49-34(22-30-16-12-10-13-17-30)41(55)50-36(27(5)6)24-45-38(29(9)52)44(58)48-33(21-26(3)4)40(54)46-32/h10-19,24-29,32-38,52H,20-23H2,1-9H3,(H,46,54)(H,47,53)(H,48,58)(H,49,57)(H,50,55)(H,51,56)/t29-,32-,33-,34-,35-,36-,37+,38+/m1/s1
InChIKeyHLSBKABOQXRVQW-ICZSIEETSA-N
Species of MetaboliteComponentSourceComments
Bacillusspecies (in: firmicutes) (ncbitaxon:1409) - PubMed (21520944)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Koranimine (CHEBI:198138) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R,6S,9R,12R,15R,18S,21S)-3,9-dibenzyl-18-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19-heptazacyclohenicos-19-ene-2,5,8,11,14,17-hexone