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CHEBI:84303 - 2-carboxytetracosanoyl-CoA

ChEBI IDCHEBI:84303
ChEBI Name2-carboxytetracosanoyl-CoA
Stars
DefinitionA 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the the carboxy groups of 2-carboxytetracosanoic acid.
Last Modified15 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC46H82N7O19P3S
Net Charge0
Average Mass1162.181
Monoisotopic Mass1161.45990
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)C(=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/C46H82N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(44(58)59)45(60)76-28-27-48-35(54)25-26-49-42(57)39(56)46(2,3)30-69-75(66,67)72-74(64,65)68-29-34-38(71-73(61,62)63)37(55)43(70-34)53-32-52-36-40(47)50-31-51-41(36)53/h31-34,37-39,43,55-56H,4-30H2,1-3H3,(H,48,54)(H,49,57)(H,58,59)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/t33?,34-,37-,38-,39+,43-/m1/s1
InChIKeyHFDIRCRWBDBZGJ-YPMIVOHTSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-carboxytetracosanoyl-CoA (CHEBI:84303) is a 2-carboxyacyl-CoA (CHEBI:84127)
2-carboxytetracosanoyl-CoA (CHEBI:84303) is conjugate acid of 2-carboxytetracosanoyl-CoA(5−) (CHEBI:83577)
Incoming Relation(s)
2-carboxytetracosanoyl-CoA(5−) (CHEBI:83577) is conjugate base of 2-carboxytetracosanoyl-CoA (CHEBI:84303)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-carboxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
2-carboxytetracosanoyl-coenzyme AChEBI