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CHEBI:221338 - Emerimicin VI

ChEBI IDCHEBI:221338
ChEBI NameEmerimicin VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC77H120N16O19
Net Charge0
Average Mass1573.900
Monoisotopic Mass1572.89157
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](Cc1ccccc1)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/C77H120N16O19/c1-20-76(18,86-59(102)51(34-43(3)4)82-56(99)39-79-62(105)70(6,7)88-65(108)73(12,13)90-66(109)74(14,15)89-64(107)72(10,11)84-58(101)52(80-44(5)95)36-46-30-26-23-27-31-46)67(110)91-75(16,17)68(111)92-40-48(96)37-53(92)60(103)83-50(32-33-55(78)98)57(100)87-77(19,21-2)69(112)93-41-49(97)38-54(93)61(104)85-71(8,9)63(106)81-47(42-94)35-45-28-24-22-25-29-45/h22-31,43,47-54,94,96-97H,20-21,32-42H2,1-19H3,(H2,78,98)(H,79,105)(H,80,95)(H,81,106)(H,82,99)(H,83,103)(H,84,101)(H,85,104)(H,86,102)(H,87,100)(H,88,108)(H,89,107)(H,90,109)(H,91,110)/t47-,48+,49+,50?,51-,52-,53-,54-,76+,77+/m0/s1
InChIKeyHPSKOYMKFAIFRZ-AUPXWIRCSA-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 VI (CHEBI:221338) is a oligopeptide (CHEBI:25676)