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CHEBI:221346 - Emerimicin VIII

ChEBI IDCHEBI:221346
ChEBI NameEmerimicin VIII
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)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(C)=O)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/c1-22-73(20,83-56(99)49(32-41(5)6)79-53(96)36-76-59(102)67(8,9)85-62(105)70(14,15)87-63(106)71(16,17)86-61(104)69(12,13)81-55(98)48(31-40(3)4)77-42(7)92)64(107)88-72(18,19)65(108)89-37-45(93)34-50(89)57(100)80-47(29-30-52(75)95)54(97)84-74(21,23-2)66(109)90-38-46(94)35-51(90)58(101)82-68(10,11)60(103)78-44(39-91)33-43-27-25-24-26-28-43/h24-28,40-41,44-51,91,93-94H,22-23,29-39H2,1-21H3,(H2,75,95)(H,76,102)(H,77,92)(H,78,103)(H,79,96)(H,80,100)(H,81,98)(H,82,101)(H,83,99)(H,84,97)(H,85,105)(H,86,104)(H,87,106)(H,88,107)/t44-,45+,46+,47?,48-,49-,50-,51-,73+,74+/m0/s1
InChIKeyIXGDDEOWMDCTSR-RMNLLOOMSA-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 VIII (CHEBI:221346) is a oligopeptide (CHEBI:25676)