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CHEBI:8418 - Pristinamycin IB

ChEBI IDCHEBI:8418
ChEBI NamePristinamycin IB
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC44H52N8O10
Net Charge0
Average Mass852.946
Monoisotopic Mass852.38064
SMILESCCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(NC)cc2)N(C)C(=O)C2CCCN2C1=O
InChIInChI=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)
InChIKeyPCOXSOQWQVRJCH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pristinamycin IB (CHEBI:8418) is a cyclodepsipeptide (CHEBI:35213)
Synonyms  Source
Pristinamycin IBKEGG COMPOUND
Vernamycin B betaKEGG COMPOUND
4-[N-Methyl-4-(methylamino)-L-phenylalanine]virginiamycin S1KEGG COMPOUND
Manual XrefsDatabases
C11616KEGG COMPOUND
Registry NumbersSources
CAS:57206-54-9KEGG COMPOUND