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CHEBI:226372 - Ilamycin H

ChEBI IDCHEBI:226372
ChEBI NameIlamycin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H75N9O13
Net Charge0
Average Mass1058.244
Monoisotopic Mass1057.54843
SMILESC=CC(C)(C)n1cc(C[C@@H]2NC(=O)[C@H](CC=CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@@H](CO)C(=O)O)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/c1-12-14-18-37-46(66)59-40(26-34-28-62(54(8,9)13-2)41-19-16-15-17-36(34)41)52(72)61(11)43(23-31(5)6)49(69)58-39(24-33-20-21-45(65)42(25-33)63(75)76)47(67)55-32(7)51(71)60(10)44(27-35(29-64)53(73)74)50(70)57-38(22-30(3)4)48(68)56-37/h12-17,19-21,25,28,30-32,35,37-40,43-44,64-65H,2,18,22-24,26-27,29H2,1,3-11H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)(H,73,74)/t32-,35-,37-,38-,39-,40-,43-,44-/m0/s1
InChIKeyPHMCEHCWRBPJFN-GUVCNWAGSA-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 H (CHEBI:226372) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-[[(2S,5S,8S,11S,14S,17S,20S)-8-but-2-enyl-17-[(4-hydroxy-3-nitrophenyl)methyl]-1,13,20-trimethyl-11-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-5,14-bis(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]methyl]-3-hydroxypropanoic acid