EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:85030 - 2-carboxypalmitoyl-CoA

ChEBI IDCHEBI:85030
ChEBI Name2-carboxypalmitoyl-CoA
Stars
DefinitionA 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-carboxypalmitic acid.
Last Modified26 February 2015
SubmitterSteve
DownloadsMolfile
FormulaC38H66N7O19P3S
Net Charge0
Average Mass1049.965
Monoisotopic Mass1049.33470
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)/t25?,26-,29-,30-,31+,35-/m1/s1
InChIKeyXUKMCVIPGKHZGR-QGGHQSAPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-carboxypalmitoyl-CoA (CHEBI:85030) is a 2-carboxyacyl-CoA (CHEBI:84127)
2-carboxypalmitoyl-CoA (CHEBI:85030) is conjugate acid of 2-carboxypalmitoyl-CoA(5−) (CHEBI:84096)
Incoming Relation(s)
2-carboxypalmitoyl-CoA(5−) (CHEBI:84096) is conjugate base of 2-carboxypalmitoyl-CoA (CHEBI:85030)
Synonyms  Source
2-carboxyhexadecanoyl-coenzyme AChEBI
2-carboxypalmitoyl-coenzyme AChEBI
2-carboxyhexadecanoyl-CoAChEBI