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CHEBI:226394 - Ilamycin L

ChEBI IDCHEBI:226394
ChEBI NameIlamycin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H75N9O14
Net Charge0
Average Mass1074.243
Monoisotopic Mass1073.54335
SMILESC=C[C@](C)(CO)n1cc(C[C@@H]2NC(=O)[C@H](CC=CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C[C@@](C)(O)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/C54H75N9O14/c1-12-14-18-36-45(66)59-39(26-34-28-62(53(8,13-2)29-64)40-19-16-15-17-35(34)40)51(72)60(10)42(23-31(5)6)48(69)58-38(24-33-20-21-44(65)41(25-33)63(76)77)46(67)55-32(7)50(71)61(11)43(27-54(9,75)52(73)74)49(70)57-37(22-30(3)4)47(68)56-36/h12-17,19-21,25,28,30-32,36-39,42-43,64-65,75H,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-,36-,37-,38-,39-,42-,43-,53+,54+/m0/s1
InChIKeyCALBKLNDRWKGIU-RNNWEONDSA-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 L (CHEBI:226394) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2R)-3-[(2S,5S,8S,11S,14S,17S,20S)-8-but-2-enyl-11-[[1-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]indol-3-yl]methyl]-17-[(4-hydroxy-3-nitrophenyl)methyl]-1,13,20-trimethyl-5,14-bis(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]-2-hydroxy-2-methylpropanoic acid