EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85036 - 2-carboxylauroyl-CoA

ChEBI IDCHEBI:85036
ChEBI Name2-carboxylauroyl-CoA
Stars
DefinitionA 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 2-carboxylauric acid.
Last Modified26 February 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H58N7O19P3S
Net Charge0
Average Mass993.857
Monoisotopic Mass993.27210
SMILESCCCCCCCCCCC(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/C34H58N7O19P3S/c1-4-5-6-7-8-9-10-11-12-21(32(46)47)33(48)64-16-15-36-23(42)13-14-37-30(45)27(44)34(2,3)18-57-63(54,55)60-62(52,53)56-17-22-26(59-61(49,50)51)25(43)31(58-22)41-20-40-24-28(35)38-19-39-29(24)41/h19-22,25-27,31,43-44H,4-18H2,1-3H3,(H,36,42)(H,37,45)(H,46,47)(H,52,53)(H,54,55)(H2,35,38,39)(H2,49,50,51)/t21?,22-,25-,26-,27+,31-/m1/s1
InChIKeyHTUIBXOOEUBPLS-NJLCRHPKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-carboxylauroyl-CoA (CHEBI:85036) is a 2-carboxyacyl-CoA (CHEBI:84127)
2-carboxylauroyl-CoA (CHEBI:85036) is conjugate acid of 2-carboxylauroyl-CoA(5−) (CHEBI:84099)
Incoming Relation(s)
2-carboxylauroyl-CoA(5−) (CHEBI:84099) is conjugate base of 2-carboxylauroyl-CoA (CHEBI:85036)
Synonyms  Source
2-carboxydodecanoyl-coenzyme AChEBI
2-carboxydodecanoyl-CoAChEBI
2-carboxylauroyl-coenzyme AChEBI