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CHEBI:84099 - 2-carboxylauroyl-CoA(5−)

ChEBI IDCHEBI:84099
ChEBI Name2-carboxylauroyl-CoA(5−)
Stars
ASCII Name2-carboxylauroyl-CoA(5-)
DefinitionA 2-carboxyacyl CoA(5−) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxylauroyl-CoA; major species at pH 7.3.
Last Modified26 February 2015
Submitternhn
DownloadsMolfile
FormulaC34H53N7O19P3S
Net Charge-5
Average Mass988.817
Monoisotopic Mass988.23572
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)/p-5/t21?,22-,25-,26-,27+,31-/m1/s1
InChIKeyHTUIBXOOEUBPLS-NJLCRHPKSA-I
ChEBI Ontology
Outgoing Relation(s)
2-carboxylauroyl-CoA(5−) (CHEBI:84099) is a 2-carboxyacyl CoA(5−) (CHEBI:84128)
2-carboxylauroyl-CoA(5−) (CHEBI:84099) is conjugate base of 2-carboxylauroyl-CoA (CHEBI:85036)
Incoming Relation(s)
2-carboxylauroyl-CoA (CHEBI:85036) is conjugate acid of 2-carboxylauroyl-CoA(5−) (CHEBI:84099)
Synonyms  Source
2-carboxylauroyl-coenzyme A(5−)ChEBI
2-carboxydodecanoyl-CoA(5−)ChEBI
2-carboxydodecanoyl-coenzyme A(5−)ChEBI
UniProt Name  Source
2-carboxydodecanoyl-CoAUniProt
Citations