erythromycin-[N-methyl-(14)C] (CHEBI:145339)

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CHEBI:145339 - erythromycin-[N-methyl-¹⁴C]

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ChEBI ID	CHEBI:145339
ChEBI Name	erythromycin-[N-methyl-¹⁴C]
Stars
ASCII Name	erythromycin-[N-methyl-(14)C]
Definition	A ¹⁴C-modified compound that is erythromycin A in which one of the methyl groups of the dimethylnitrilo group has a ¹⁴C label. It is used in a breath test to detect liver cytochrome P450 enzyme (CYP3A4) activity in humans.
Last Modified	12 November 2019
Submitter	Adnan
Downloads	Molfile

Formula	C36[14C]H67NO13
Net Charge	0
Average Mass	735.929
Monoisotopic Mass	735.46448
SMILES	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)[14CH3])[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
InChI	InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1/i11+2
InChIKey	ULGZDMOVFRHVEP-RFAHSBMDSA-N

Roles Classification

Chemical Role:	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Application:	probe A role played by a molecular entity used to study the microscopic environment.

ChEBI Ontology

Outgoing Relation(s)
	erythromycin-[N-methyl-¹⁴C] (CHEBI:145339) has role probe (CHEBI:50406)
	erythromycin-[N-methyl-¹⁴C] (CHEBI:145339) is a ¹⁴C-modified compound (CHEBI:139542)
	erythromycin-[N-methyl-¹⁴C] (CHEBI:145339) is a cyclic ketone (CHEBI:3992)
	erythromycin-[N-methyl-¹⁴C] (CHEBI:145339) is a erythromycin (CHEBI:48923)

IUPAC Name
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl((1¹⁴C)methyl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

Synonyms	Source
[N-methyl-¹⁴C]-erythromycin	ChEBI
[N-methyl-¹⁴C]erythromycin	ChEBI
erythromycin N-methyl C-14	ChemIDplus
¹⁴C-N-methyl-erythromycin	ChEBI
[¹⁴C-N-methyl]-erythromycin	ChEBI

Registry Numbers	Sources
CAS:92530-59-1	ChemIDplus

Citations