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CHEBI:221351 - Emerimicin IX

ChEBI IDCHEBI:221351
ChEBI NameEmerimicin IX
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC74H122N16O19
Net Charge0
Average Mass1539.883
Monoisotopic Mass1538.90722
SMILESCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@](C)(CC)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CCC(N)=O)C(=O)N[C@](C)(CC)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C74H122N16O19/c1-22-72(19,88-62(105)70(15,16)86-61(104)69(13,14)85-60(103)68(11,12)82-58(101)53(41(6)7)77-42(8)92)63(106)76-36-52(96)79-48(32-40(4)5)55(98)83-73(20,23-2)64(107)87-71(17,18)65(108)89-37-45(93)34-49(89)56(99)80-47(30-31-51(75)95)54(97)84-74(21,24-3)66(109)90-38-46(94)35-50(90)57(100)81-67(9,10)59(102)78-44(39-91)33-43-28-26-25-27-29-43/h25-29,40-41,44-50,53,91,93-94H,22-24,30-39H2,1-21H3,(H2,75,95)(H,76,106)(H,77,92)(H,78,102)(H,79,96)(H,80,99)(H,81,100)(H,82,101)(H,83,98)(H,84,97)(H,85,103)(H,86,104)(H,87,107)(H,88,105)/t44-,45+,46+,47?,48-,49-,50-,53-,72+,73+,74+/m0/s1
InChIKeyXZIMXLSLLWNCNC-NXTDQQSXSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (33617244)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Emerimicin IX (CHEBI:221351) is a oligopeptide (CHEBI:25676)