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CHEBI:77208 - hexadecanedioyl-CoA

ChEBI IDCHEBI:77208
ChEBI Namehexadecanedioyl-CoA
Stars
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with one of the two carboxy groups of hexadecanedioic acid.
Last Modified3 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC37H64N7O19P3S
Net Charge0
Average Mass1035.938
Monoisotopic Mass1035.31905
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)/t25-,30-,31-,32+,36-/m1/s1
InChIKeyGTCSHNMTNCXODY-CCAJQFMUSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
hexadecanedioyl-CoA (CHEBI:77208) has functional parent hexadecanedioic acid (CHEBI:73722)
hexadecanedioyl-CoA (CHEBI:77208) is a acyl-CoA (CHEBI:17984)
hexadecanedioyl-CoA (CHEBI:77208) is conjugate acid of hexadecanedioyl-CoA(5−) (CHEBI:77085)
Incoming Relation(s)
hexadecanedioyl-CoA(5−) (CHEBI:77085) is conjugate base of hexadecanedioyl-CoA (CHEBI:77208)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[15-carboxypentadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
hexadecanedioyl-coenzyme AChEBI