EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226383 - Ilamycin J

ChEBI IDCHEBI:226383
ChEBI NameIlamycin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H75N9O12
Net Charge0
Average Mass1042.245
Monoisotopic Mass1041.55352
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@H](C)[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/C54H75N9O12/c1-12-14-18-37-46(66)58-39(27-35-28-61(54(9,13-2)29-64)40-19-16-15-17-36(35)40)52(72)59(10)42(22-30(3)4)48(68)57-38(25-34-20-21-45(65)41(26-34)63(74)75)47(67)55-33(8)51(71)60(11)44-24-32(7)50(70)62(53(44)73)43(23-31(5)6)49(69)56-37/h12-17,19-21,26,28,30-33,37-39,42-44,50,64-65,70H,2,18,22-25,27,29H2,1,3-11H3,(H,55,67)(H,56,69)(H,57,68)(H,58,66)/t32-,33-,37-,38-,39-,42-,43-,44-,50+,54+/m0/s1
InChIKeyMCIFREXBXPGXRT-GNGZGKRHSA-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 J (CHEBI:226383) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S,5S,8S,11S,14S,17S,20S,22S,23R)-5-but-2-enyl-23-hydroxy-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