CHEBI:77208 - hexadecanedioyl-CoA

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ChEBI Name hexadecanedioyl-CoA
ChEBI ID CHEBI:77208
Definition An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with one of the two carboxy groups of hexadecanedioic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H64N7O19P3S
Net Charge 0
Average Mass 1035.92600
Monoisotopic Mass 1035.31906
InChI InChI=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
InChIKey GTCSHNMTNCXODY-CCAJQFMUSA-N
SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 A ChEBI
Last Modified
03 February 2014