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CHEBI:77084 - tetradecanedioyl-CoA(5−)

ChEBI IDCHEBI:77084
ChEBI Nametetradecanedioyl-CoA(5−)
Stars
ASCII Nametetradecanedioyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of tetradecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Last Modified3 February 2014
Submitterlaimo
DownloadsMolfile
FormulaC35H55N7O19P3S
Net Charge-5
Average Mass1002.844
Monoisotopic Mass1002.25137
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)CCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C35H60N7O19P3S/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/h21-23,28-30,34,47-48H,3-20H2,1-2H3,(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/t23-,28-,29-,30+,34-/m1/s1
InChIKeyTVXJIGZINAEEEG-XIOMLZLPSA-I
ChEBI Ontology
Outgoing Relation(s)
tetradecanedioyl-CoA(5−) (CHEBI:77084) is a acyl-CoA oxoanion (CHEBI:58946)
tetradecanedioyl-CoA(5−) (CHEBI:77084) is conjugate base of tetradecanedioyl-CoA (CHEBI:77207)
Incoming Relation(s)
tetradecanedioyl-CoA (CHEBI:77207) is conjugate acid of tetradecanedioyl-CoA(5−) (CHEBI:77084)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[13-carboxylatotridecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
DC14:0-CoA(5−)SUBMITTER
tetradecanedioyl-coenzyme A(5−)ChEBI
UniProt Name  Source
tetradecanedioyl-CoAUniProt