CHEBI:8418 - Pristinamycin IB

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ChEBI Name Pristinamycin IB
ChEBI ID CHEBI:8418
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C44H52N8O10
Net Charge 0
Average Mass 852.933
Monoisotopic Mass 852.38064
InChI InChI=1S/C44H52N8O10/c1-5-30-41(58)51-21-10-13-31(51)42(59)50(4)33(23-26-15-17-28(45-3)18-16-26)43(60)52-22-19-29(53)24-32(52)38(55)49-36(27-11-7-6-8-12-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)14-9-20-46-37/h6-9,11-12,14-18,20,25,30-33,35-36,45,54H,5,10,13,19,21-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)
InChIKey PCOXSOQWQVRJCH-UHFFFAOYSA-N
SMILES CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(NC)cc2)N(C)C(=O)C2CCCN2C1=O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pristinamycin IB (CHEBI:8418) is a cyclodepsipeptide (CHEBI:35213)
Synonyms Sources
4-[N-Methyl-4-(methylamino)-L-phenylalanine]virginiamycin S1 KEGG COMPOUND
Pristinamycin IB KEGG COMPOUND
Vernamycin B beta KEGG COMPOUND
Manual Xref Database
C11616 KEGG COMPOUND
View more database links
Registry Number Type Source
57206-54-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014