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CHEBI:77085 - hexadecanedioyl-CoA(5−)

ChEBI IDCHEBI:77085
ChEBI Namehexadecanedioyl-CoA(5−)
Stars
ASCII Namehexadecanedioyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of hexadecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Last Modified3 February 2014
Submitterlaimo
DownloadsMolfile
FormulaC37H59N7O19P3S
Net Charge-5
Average Mass1030.898
Monoisotopic Mass1030.28267
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)CCCCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C37H64N7O19P3S/c1-37(2,32(50)35(51)40-18-17-26(45)39-19-20-67-28(48)16-14-12-10-8-6-4-3-5-7-9-11-13-15-27(46)47)22-60-66(57,58)63-65(55,56)59-21-25-31(62-64(52,53)54)30(49)36(61-25)44-24-43-29-33(38)41-23-42-34(29)44/h23-25,30-32,36,49-50H,3-22H2,1-2H3,(H,39,45)(H,40,51)(H,46,47)(H,55,56)(H,57,58)(H2,38,41,42)(H2,52,53,54)/p-5/t25-,30-,31-,32+,36-/m1/s1
InChIKeyGTCSHNMTNCXODY-CCAJQFMUSA-I
ChEBI Ontology
Outgoing Relation(s)
hexadecanedioyl-CoA(5−) (CHEBI:77085) is a acyl-CoA oxoanion (CHEBI:58946)
hexadecanedioyl-CoA(5−) (CHEBI:77085) is conjugate base of hexadecanedioyl-CoA (CHEBI:77208)
Incoming Relation(s)
hexadecanedioyl-CoA (CHEBI:77208) is conjugate acid of hexadecanedioyl-CoA(5−) (CHEBI:77085)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[15-carboxylatopentadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
DC16:0- CoA(5−)SUBMITTER
hexadecanedioyl-coenzyme A(5−)ChEBI
UniProt Name  Source
hexadecanedioyl-CoAUniProt