CHEBI:139151 - ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−)

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ChEBI Name ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−)
ChEBI ID CHEBI:139151
ChEBI ASCII Name ADP-5-ethyl-4-methylthiazole-2-carboxylate(3-)
Definition A organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C17H19N6O12P2S
Net Charge -3
Average Mass 593.380
Monoisotopic Mass 593.026
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)/p-3/t8-,11-,12-,16-/m1/s1
InChIKey VGXBGQACJQRWLV-LKGUXBDMSA-K
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
ChEBI Ontology
Outgoing ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151) has functional parent ADP(3−) (CHEBI:456216)
ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151) is a monocarboxylic acid anion (CHEBI:35757)
ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151) is a organophosphate oxoanion (CHEBI:58945)
ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151) is conjugate base of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399)
Incoming ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) is conjugate acid of ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151)
Synonym Source
ADP-5-ethyl-4-methylthiazole-2-carboxylate UniProt
Manual Xref Database
CPDQT-400 MetaCyc
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Citations Waiting for Citations Types Sources
22031445 PubMed citation SUBMITTER
26919468 PubMed citation SUBMITTER
Last Modified
29 January 2018