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CHEBI:8419 - pristinamycin IC

ChEBI IDCHEBI:8419
ChEBI Namepristinamycin IC
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC44H52N8O10
Net Charge0
Average Mass852.946
Monoisotopic Mass852.38064
SMILESCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(N(C)C)cc2)N(C)C(=O)C2CCCN2C1=O
InChIInChI=1S/C44H52N8O10/c1-25-41(58)51-21-10-13-31(51)42(59)50(5)33(23-27-15-17-29(18-16-27)49(3)4)43(60)52-22-19-30(53)24-32(52)38(55)48-36(28-11-7-6-8-12-28)44(61)62-26(2)35(39(56)46-25)47-40(57)37-34(54)14-9-20-45-37/h6-9,11-12,14-18,20,25-26,31-33,35-36,54H,10,13,19,21-24H2,1-5H3,(H,46,56)(H,47,57)(H,48,55)
InChIKeyBYRKDHSWMQLYJB-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 IC (CHEBI:8419) is a cyclodepsipeptide (CHEBI:35213)
Synonyms  Source
Pristinamycin ICKEGG COMPOUND
Vernamycin B gammaKEGG COMPOUND
2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1KEGG COMPOUND
Manual XrefsDatabases
C11617KEGG COMPOUND
Registry NumbersSources
CAS:28979-74-0KEGG COMPOUND