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CHEBI:78176 - undecanoyl-CoA

ChEBI IDCHEBI:78176
ChEBI Nameundecanoyl-CoA
Stars
DefinitionA medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of undecanoic acid.
Last Modified23 August 2024
SubmitterSteve
DownloadsMolfile
FormulaC32H56N7O17P3S
Net Charge0
Average Mass935.821
Monoisotopic Mass935.26662
SMILESCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
InChIInChI=1S/C32H56N7O17P3S/c1-4-5-6-7-8-9-10-11-12-23(41)60-16-15-34-22(40)13-14-35-30(44)27(43)32(2,3)18-53-59(50,51)56-58(48,49)52-17-21-26(55-57(45,46)47)25(42)31(54-21)39-20-38-24-28(33)36-19-37-29(24)39/h19-21,25-27,31,42-43H,4-18H2,1-3H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t21-,25-,26-,27+,31-/m1/s1
InChIKeyIZWCGXGZGYKDHR-GRBGHKMPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
undecanoyl-CoA (CHEBI:78176) has functional parent undecanoic acid (CHEBI:32368)
undecanoyl-CoA (CHEBI:78176) is a medium-chain fatty acyl-CoA (CHEBI:61907)
undecanoyl-CoA (CHEBI:78176) is a saturated fatty acyl-CoA (CHEBI:231546)
undecanoyl-CoA (CHEBI:78176) is conjugate acid of undecanoyl-CoA(4−) (CHEBI:77547)
Incoming Relation(s)
undecanoyl-CoA(4−) (CHEBI:77547) is conjugate base of undecanoyl-CoA (CHEBI:78176)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(undecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
Synonym  Source
undecanoyl-coenzyme AChEBI
Manual XrefsDatabases
HMDB0013114HMDB