2-methylthio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate (CHEBI:74651)

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CHEBI:74651 - 2-methylthio-N⁶-L-threonylcarbamoyladenine 5'-monophosphate

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ChEBI ID	CHEBI:74651
ChEBI Name	2-methylthio-N⁶-L-threonylcarbamoyladenine 5'-monophosphate
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ASCII Name	2-methylthio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate
Definition	A nucleotide-amino acid that is the N⁶-L-threonylcarbamoyl derivative of 2-methylthioadenine 5'-monophosphate.
Last Modified	25 November 2019
Submitter	Steve
Downloads	Molfile

Formula	C16H23N6O11PS
Net Charge	0
Average Mass	538.432
Monoisotopic Mass	538.08831
SMILES	CSc1nc(NC(=O)N[C@H](C(=O)O)[C@@H](C)O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
InChI	InChI=1S/C16H23N6O11PS/c1-5(23)7(14(26)27)18-15(28)19-11-8-12(21-16(20-11)35-2)22(4-17-8)13-10(25)9(24)6(33-13)3-32-34(29,30)31/h4-7,9-10,13,23-25H,3H2,1-2H3,(H,26,27)(H2,29,30,31)(H2,18,19,20,21,28)/t5-,6-,7+,9-,10-,13-/m1/s1
InChIKey	CVAJCPGRFVTHBT-DWVDDHQFSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-methylthio-N⁶-L-threonylcarbamoyladenine 5'-monophosphate (CHEBI:74651) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
	2-methylthio-N⁶-L-threonylcarbamoyladenine 5'-monophosphate (CHEBI:74651) is a L-threonine derivative (CHEBI:84189)
	2-methylthio-N⁶-L-threonylcarbamoyladenine 5'-monophosphate (CHEBI:74651) is a aryl sulfide (CHEBI:35683)
	2-methylthio-N⁶-L-threonylcarbamoyladenine 5'-monophosphate (CHEBI:74651) is a nucleotide-amino acid (CHEBI:48116)
	2-methylthio-N⁶-L-threonylcarbamoyladenine 5'-monophosphate (CHEBI:74651) is a ureas (CHEBI:47857)

Synonym	Source
(2S,3R)-2-({[9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2-(methylsulfanyl)-9H-purin-6-yl]carbamoyl}amino)-3-hydroxybutanoic acid	ChEBI

Manual Xrefs	Databases
12A	PDBeChem