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CHEBI:84096 - 2-carboxypalmitoyl-CoA(5−)

ChEBI IDCHEBI:84096
ChEBI Name2-carboxypalmitoyl-CoA(5−)
Stars
ASCII Name2-carboxypalmitoyl-CoA(5-)
DefinitionA 2-carboxyacyl CoA(5−) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxypalmitoyl-CoA; major species at pH 7.3.
Last Modified26 February 2015
Submitternhn
DownloadsMolfile
FormulaC38H61N7O19P3S
Net Charge-5
Average Mass1044.925
Monoisotopic Mass1044.29832
SMILESCCCCCCCCCCCCCCC(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/C38H66N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(36(50)51)37(52)68-20-19-40-27(46)17-18-41-34(49)31(48)38(2,3)22-61-67(58,59)64-66(56,57)60-21-26-30(63-65(53,54)55)29(47)35(62-26)45-24-44-28-32(39)42-23-43-33(28)45/h23-26,29-31,35,47-48H,4-22H2,1-3H3,(H,40,46)(H,41,49)(H,50,51)(H,56,57)(H,58,59)(H2,39,42,43)(H2,53,54,55)/p-5/t25?,26-,29-,30-,31+,35-/m1/s1
InChIKeyXUKMCVIPGKHZGR-QGGHQSAPSA-I
ChEBI Ontology
Outgoing Relation(s)
2-carboxypalmitoyl-CoA(5−) (CHEBI:84096) is a 2-carboxyacyl CoA(5−) (CHEBI:84128)
2-carboxypalmitoyl-CoA(5−) (CHEBI:84096) is conjugate base of 2-carboxypalmitoyl-CoA (CHEBI:85030)
Incoming Relation(s)
2-carboxypalmitoyl-CoA (CHEBI:85030) is conjugate acid of 2-carboxypalmitoyl-CoA(5−) (CHEBI:84096)
Synonyms  Source
2-carboxypalmitoyl-coenzyme A(5−)ChEBI
2-carboxyhexadecanoyl-CoA(5−)ChEBI
2-carboxyhexadecanoyl-coenzyme A(5−)ChEBI
UniProt Name  Source
2-carboxyhexadecanoyl-CoAUniProt
Citations