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CHEBI:226361 - Ilamycin R

ChEBI IDCHEBI:226361
ChEBI NameIlamycin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H77N9O10
Net Charge0
Average Mass1024.274
Monoisotopic Mass1023.57934
SMILESC=CC(C)(C)n1cc(C[C@@H]2NC(=O)[C@H](CC=CC)NC(=O)[C@H](CC(C)C)N3C(=O)[C@H](C[C@H](C)[C@H]3OC)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)NC(=O)[C@H](CC(C)C)N(C)C2=O)c2ccccc21
InChIInChI=1S/C55H77N9O10/c1-14-16-23-40-47(65)59-42(30-37-31-62(55(9,10)15-2)43-24-18-17-22-39(37)43)52(70)60(11)44(25-32(3)4)49(67)58-41(29-36-20-19-21-38(28-36)64(72)73)48(66)56-35(8)51(69)61(12)46-27-34(7)54(74-13)63(53(46)71)45(26-33(5)6)50(68)57-40/h14-22,24,28,31-35,40-42,44-46,54H,2,23,25-27,29-30H2,1,3-13H3,(H,56,66)(H,57,68)(H,58,67)(H,59,65)/t34-,35-,40-,41-,42-,44-,45-,46-,54+/m0/s1
InChIKeyRKDWMOUDQQGHSJ-JBJJYNOUSA-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 R (CHEBI:226361) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,5S,8S,11S,14S,17S,20S,22S,23R)-5-but-2-enyl-23-methoxy-10,17,19,22-tetramethyl-8-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-2,11-bis(2-methylpropyl)-14-[(3-nitrophenyl)methyl]-1,4,7,10,13,16,19-heptazabicyclo[18.3.1]tetracosane-3,6,9,12,15,18,24-heptone