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CHEBI:221354 - Emerimicin X

ChEBI IDCHEBI:221354
ChEBI NameEmerimicin X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H120N16O19
Net Charge0
Average Mass1525.856
Monoisotopic Mass1524.89157
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](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/C73H120N16O19/c1-22-72(20,82-54(97)47(31-39(3)4)78-51(95)35-75-58(101)66(8,9)84-61(104)69(14,15)86-62(105)70(16,17)85-60(103)68(12,13)81-57(100)52(40(5)6)76-41(7)91)63(106)87-71(18,19)64(107)88-36-44(92)33-48(88)55(98)79-46(29-30-50(74)94)53(96)83-73(21,23-2)65(108)89-37-45(93)34-49(89)56(99)80-67(10,11)59(102)77-43(38-90)32-42-27-25-24-26-28-42/h24-28,39-40,43-49,52,90,92-93H,22-23,29-38H2,1-21H3,(H2,74,94)(H,75,101)(H,76,91)(H,77,102)(H,78,95)(H,79,98)(H,80,99)(H,81,100)(H,82,97)(H,83,96)(H,84,104)(H,85,103)(H,86,105)(H,87,106)/t43-,44+,45+,46?,47-,48-,49-,52-,72+,73+/m0/s1
InChIKeyILFKIASPGGMGOF-CUJSTGIPSA-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 X (CHEBI:221354) is a oligopeptide (CHEBI:25676)