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CHEBI:76347 - trans-2-decenedioyl-CoA(5−)

ChEBI IDCHEBI:76347
ChEBI Nametrans-2-decenedioyl-CoA(5−)
Stars
ASCII Nametrans-2-decenedioyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of trans-2-decenedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Last Modified1 July 2014
Submitterlaimo
DownloadsMolfile
FormulaC31H45N7O19P3S
Net Charge-5
Average Mass944.720
Monoisotopic Mass944.17312
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCCCC(=O)[O-]
InChIInChI=1S/C31H50N7O19P3S/c1-31(2,26(44)29(45)34-12-11-20(39)33-13-14-61-22(42)10-8-6-4-3-5-7-9-21(40)41)16-54-60(51,52)57-59(49,50)53-15-19-25(56-58(46,47)48)24(43)30(55-19)38-18-37-23-27(32)35-17-36-28(23)38/h8,10,17-19,24-26,30,43-44H,3-7,9,11-16H2,1-2H3,(H,33,39)(H,34,45)(H,40,41)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/p-5/b10-8+/t19-,24-,25-,26+,30-/m1/s1
InChIKeyJHQDYQPTIXKJBS-KWJGNTRJSA-I
ChEBI Ontology
Outgoing Relation(s)
trans-2-decenedioyl-CoA(5−) (CHEBI:76347) is a acyl-CoA oxoanion (CHEBI:58946)
trans-2-decenedioyl-CoA(5−) (CHEBI:76347) is conjugate base of trans-2-decenedioyl-CoA (CHEBI:76443)
Incoming Relation(s)
trans-2-decenedioyl-CoA (CHEBI:76443) is conjugate acid of trans-2-decenedioyl-CoA(5−) (CHEBI:76347)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-9-carboxylatonon-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym  Source
trans-2-decenedioyl-coenzyme A(5−)SUBMITTER
UniProt Name  Source
(2E)-decenedioyl-CoAUniProt