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CHEBI:226405 - Ilamycin N

ChEBI IDCHEBI:226405
ChEBI NameIlamycin N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H77N9O11
Net Charge0
Average Mass1040.273
Monoisotopic Mass1039.57425
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](C)C(=O)O)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc3ccc(O)c(NC=O)c3)NC(=O)[C@H](CC(C)C)N(C)C2=O)c2ccccc21
InChIInChI=1S/C55H77N9O11/c1-13-15-19-38-47(67)61-42(28-36-29-64(55(9,10)14-2)43-20-17-16-18-37(36)43)53(73)63(12)44(24-32(5)6)50(70)60-41(27-35-21-22-46(66)39(26-35)56-30-65)48(68)57-34(8)52(72)62(11)45(25-33(7)54(74)75)51(71)59-40(23-31(3)4)49(69)58-38/h13-18,20-22,26,29-34,38,40-42,44-45,66H,2,19,23-25,27-28H2,1,3-12H3,(H,56,65)(H,57,68)(H,58,69)(H,59,71)(H,60,70)(H,61,67)(H,74,75)/t33-,34-,38-,40-,41-,42-,44-,45-/m0/s1
InChIKeyYFCGPNLJGYFNHI-IUNHKGFASA-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 N (CHEBI:226405) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-3-[(2S,5S,8S,11S,14S,17S,20S)-8-but-2-enyl-17-[(3-ormamido-4-hydroxyphenyl)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]-2-methylpropanoic acid