CHEBI:8419 - pristinamycin IC

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ChEBI Name pristinamycin IC
ChEBI ID CHEBI:8419
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/c1-25-41(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)
InChIKey BYRKDHSWMQLYJB-UHFFFAOYSA-N
SMILES CC1OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(cc2)N(C)C)N(C)C(=O)C2CCCN2C(=O)C(C)NC(=O)C1NC(=O)c1ncccc1O)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 IC (CHEBI:8419) is a cyclodepsipeptide (CHEBI:35213)
Synonyms Sources
2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1 KEGG COMPOUND
Pristinamycin IC KEGG COMPOUND
Vernamycin B gamma KEGG COMPOUND
Manual Xref Database
C11617 KEGG COMPOUND
View more database links
Registry Number Type Source
28979-74-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014