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CHEBI:226355 - Ilamycin Q

ChEBI IDCHEBI:226355
ChEBI NameIlamycin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H75N9O11S
Net Charge0
Average Mass1046.302
Monoisotopic Mass1045.53068
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](CCS(C)=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/C53H75N9O11S/c1-13-15-19-37-46(64)58-40(29-35-30-61(53(8,9)14-2)41-20-17-16-18-36(35)41)52(70)60(11)44(26-32(5)6)50(68)57-39(27-34-21-22-45(63)43(28-34)62(71)72)47(65)54-33(7)51(69)59(10)42(23-24-74(12)73)49(67)56-38(25-31(3)4)48(66)55-37/h13-18,20-22,28,30-33,37-40,42,44,63H,2,19,23-27,29H2,1,3-12H3,(H,54,65)(H,55,66)(H,56,67)(H,57,68)(H,58,64)/t33-,37-,38-,39-,40-,42-,44-,74?/m0/s1
InChIKeyDJTWVRFYCLANEW-RJCRXGHASA-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 Q (CHEBI:226355) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3S,6S,9S,12S,15S,18S,21S)-15-but-2-enyl-6-[(4-hydroxy-3-nitrophenyl)methyl]-1,3,10-trimethyl-12-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]-9,18-bis(2-methylpropyl)-21-(2-methylsulinylethyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone