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CHEBI:226388 - Ilamycin K

ChEBI IDCHEBI:226388
ChEBI NameIlamycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H75N9O13
Net Charge0
Average Mass1058.244
Monoisotopic Mass1057.54843
SMILESC=C[C@](C)(CO)n1cc(C[C@@H]2NC(=O)[C@H](CC=CC)NC(=O)[C@H](CC(C)C)N3C(=O)[C@H](C[C@@](C)(O)[C@H]3O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(O)c([N+](=O)[O-])c3)NC(=O)[C@H](CC(C)C)N(C)C2=O)c2ccccc21
InChIInChI=1S/C54H75N9O13/c1-12-14-18-36-45(66)58-38(26-34-28-61(53(8,13-2)29-64)39-19-16-15-17-35(34)39)50(71)59(10)41(22-30(3)4)47(68)57-37(24-33-20-21-44(65)40(25-33)63(75)76)46(67)55-32(7)49(70)60(11)43-27-54(9,74)52(73)62(51(43)72)42(23-31(5)6)48(69)56-36/h12-17,19-21,25,28,30-32,36-38,41-43,52,64-65,73-74H,2,18,22-24,26-27,29H2,1,3-11H3,(H,55,67)(H,56,69)(H,57,68)(H,58,66)/t32-,36-,37-,38-,41-,42-,43-,52+,53+,54+/m0/s1
InChIKeyFKRFJHOXCALPQD-GFZCTITJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32324401)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ilamycin K (CHEBI:226388) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,5S,8S,11S,14S,17S,20S,22R,23R)-5-but-2-enyl-22,23-dihydroxy-8-[[1-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]indol-3-yl]methyl]-14-[(4-hydroxy-3-nitrophenyl)methyl]-10,17,19,22-tetramethyl-2,11-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazabicyclo[18.3.1]tetracosane-3,6,9,12,15,18,24-heptone