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CHEBI:77039 - (2E)-tetradecenedioyl-CoA(5−)

ChEBI IDCHEBI:77039
ChEBI Name(2E)-tetradecenedioyl-CoA(5−)
Stars
ASCII Name(2E)-tetradecenedioyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of trans-2-tetradecenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Last Modified3 February 2014
Submitterlaimo
DownloadsMolfile
FormulaC35H53N7O19P3S
Net Charge-5
Average Mass1000.828
Monoisotopic Mass1000.23572
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/CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C35H58N7O19P3S/c1-35(2,30(48)33(49)38-16-15-24(43)37-17-18-65-26(46)14-12-10-8-6-4-3-5-7-9-11-13-25(44)45)20-58-64(55,56)61-63(53,54)57-19-23-29(60-62(50,51)52)28(47)34(59-23)42-22-41-27-31(36)39-21-40-32(27)42/h12,14,21-23,28-30,34,47-48H,3-11,13,15-20H2,1-2H3,(H,37,43)(H,38,49)(H,44,45)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/p-5/b14-12+/t23-,28-,29-,30+,34-/m1/s1
InChIKeySFSYDKBWVPWWFQ-KHXGTSCESA-I
ChEBI Ontology
Outgoing Relation(s)
(2E)-tetradecenedioyl-CoA(5−) (CHEBI:77039) is a acyl-CoA oxoanion (CHEBI:58946)
(2E)-tetradecenedioyl-CoA(5−) (CHEBI:77039) is conjugate base of (2E)-tetradecenedioyl-CoA (CHEBI:77170)
Incoming Relation(s)
(2E)-tetradecenedioyl-CoA (CHEBI:77170) is conjugate acid of (2E)-tetradecenedioyl-CoA(5−) (CHEBI:77039)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-13-carboxylatotridec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
trans-2-tetradecenedioyl-CoA(5−)SUBMITTER
(2E)-C14:1-DCA-CoA(5−)SUBMITTER
(2E)-tetradecenedioyl-coenzyme A(5−)ChEBI
trans-2-tetradecenedioyl-coenzyme A(5−)ChEBI
UniProt Name  Source
(2E)-tetradecenedioyl-CoAUniProt