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

ChEBI IDCHEBI:139151
ChEBI NameADP-5-ethyl-4-methylthiazole-2-carboxylate(3−)
Stars
ASCII NameADP-5-ethyl-4-methylthiazole-2-carboxylate(3-)
DefinitionA 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.
Last Modified29 January 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H19N6O12P2S
Net Charge-3
Average Mass593.384
Monoisotopic Mass593.02734
SMILESCc1nc(C(=O)[O-])sc1CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=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
InChIKeyVGXBGQACJQRWLV-LKGUXBDMSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
ADP-5-ethyl-4-methylthiazole-2-carboxylic acid (CHEBI:134399) is conjugate acid of ADP-5-ethyl-4-methylthiazole-2-carboxylate(3−) (CHEBI:139151)
UniProt Name  Source
ADP-5-ethyl-4-methylthiazole-2-carboxylateUniProt
Manual XrefsDatabases
CPDQT-400MetaCyc
Citations