CHEBI:80044 - Myxochromide S1

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ChEBI Name Myxochromide S1
ChEBI ID CHEBI:80044
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H54N6O8
Net Charge 0
Average Mass 722.87080
Monoisotopic Mass 722.40031
InChI InChI=1S/C38H54N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(46)44(7)33-28(6)52-38(51)29(22-23-31(39)45)42-35(48)27(5)40-34(47)26(4)41-36(49)30(24-25(2)3)43-37(33)50/h8-21,25-30,33H,22-24H2,1-7H3,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,50)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+/t26-,27-,28+,29-,30-,33-/m0/s1
InChIKey BHYCLFCOZPICKT-CNDSVILGSA-N
SMILES C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)N(C)[C@H]1[C@@H](C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC1=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Myxochromide S1 (CHEBI:80044) is a cyclodepsipeptide (CHEBI:35213)
Manual Xref Database
C15714 KEGG COMPOUND
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