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CHEBI:226345 - Ilamycin O

ChEBI IDCHEBI:226345
ChEBI NameIlamycin O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H76N8O10
Net Charge0
Average Mass997.248
Monoisotopic Mass996.56844
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)cc3)NC(=O)[C@H](CC(C)C)N(C)C2=O)c2ccccc21
InChIInChI=1S/C54H76N8O10/c1-13-15-19-39-46(64)59-42(29-36-30-62(54(9,10)14-2)43-20-17-16-18-38(36)43)52(70)61(12)44(26-32(5)6)49(67)58-41(28-35-21-23-37(63)24-22-35)47(65)55-34(8)51(69)60(11)45(27-33(7)53(71)72)50(68)57-40(25-31(3)4)48(66)56-39/h13-18,20-24,30-34,39-42,44-45,63H,2,19,25-29H2,1,3-12H3,(H,55,65)(H,56,66)(H,57,68)(H,58,67)(H,59,64)(H,71,72)/t33-,34-,39-,40-,41-,42-,44-,45-/m0/s1
InChIKeyJSBIFRHLTSPRHT-OSKBGULQSA-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 O (CHEBI:226345) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-3-[(2S,5S,8S,11S,14S,17S,20S)-8-but-2-enyl-17-[(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