CHEBI:134399 - ADP-5-ethyl-4-methylthiazole-2-carboxylic acid

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ChEBI Name ADP-5-ethyl-4-methylthiazole-2-carboxylic acid
ChEBI ID CHEBI:134399
Definition An 1,3-thiazolemonocarboxylic acid that is ADP in which one of the diphosphate hydrogens has been replaced by a 2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Secondary ChEBI IDs CHEBI:40688
Supplier Information
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Formula C17H22N6O12P2S
Net Charge 0
Average Mass 596.404
Monoisotopic Mass 596.04917
InChI InChI=1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/t8-,11-,12-,16-/m1/s1
InChIKey VGXBGQACJQRWLV-LKGUXBDMSA-N
SMILES C1(=NC(=C(S1)CCOP(OP(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC=4C3=NC=NC4N)O)O)(=O)O)(=O)O)C)C(O)=O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) has functional parent ADP (CHEBI:16761)
ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) is a 1,3-thiazolemonocarboxylic acid (CHEBI:48652)
ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) is conjugate acid of ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151)
Incoming ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151) is conjugate base of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399)
IUPAC Name
5'-O-[({[2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine
Synonym Source
Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid KEGG COMPOUND
Manual Xrefs Databases
AHZ PDBeChem
C20784 KEGG COMPOUND
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Registry Number Type Source
10406259 Reaxys Registry Number Reaxys
Last Modified
19 April 2017