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CHEBI:90266 - tricosanoyl-CoA

ChEBI IDCHEBI:90266
ChEBI Nametricosanoyl-CoA
Stars
DefinitionA very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of tricosanoic acid.
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC44H80N7O17P3S
Net Charge0
Average Mass1104.145
Monoisotopic Mass1103.45442
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=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/C44H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h31-33,37-39,43,54-55H,4-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/t33-,37-,38-,39+,43-/m1/s1
InChIKeyGBAQBZWAXMYXRJ-IDCBOFBBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
tricosanoyl-CoA (CHEBI:90266) has functional parent tricosanoic acid (CHEBI:42394)
tricosanoyl-CoA (CHEBI:90266) is a saturated fatty acyl-CoA (CHEBI:231546)
tricosanoyl-CoA (CHEBI:90266) is a very long-chain fatty acyl-CoA (CHEBI:61910)
tricosanoyl-CoA (CHEBI:90266) is conjugate acid of tricosanoyl-CoA(4−) (CHEBI:90118)
Incoming Relation(s)
tricosanoyl-CoA(4−) (CHEBI:90118) is conjugate base of tricosanoyl-CoA (CHEBI:90266)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tricosanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonym  Source
tricosanoyl-coenzyme AChEBI