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

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ChEBI Name 2-carboxypalmitoyl-CoA(5−)
ChEBI ID CHEBI:84096
ChEBI ASCII Name 2-carboxypalmitoyl-CoA(5-)
Definition A 2-carboxyacyl CoA(5−) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxypalmitoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C38H61N7O19P3S
Net Charge -5
Average Mass 1044.91500
Monoisotopic Mass 1044.29832
InChI InChI=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
InChIKey XUKMCVIPGKHZGR-QGGHQSAPSA-I
SMILES CCCCCCCCCCCCCCC(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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 2-carboxypalmitoyl-CoA (CHEBI:85030) is conjugate acid of 2-carboxypalmitoyl-CoA(5−) (CHEBI:84096)
Synonyms Sources
2-carboxyhexadecanoyl-CoA UniProt
2-carboxyhexadecanoyl-CoA(5−) ChEBI
2-carboxyhexadecanoyl-coenzyme A(5−) ChEBI
2-carboxypalmitoyl-coenzyme A(5−) ChEBI
Citation
Gavalda S, Léger M, van der Rest B, Stella A, Bardou F, Montrozier H, Chalut C, Burlet-Schiltz O, Marrakchi H, Daffé M, Quémard A (2009)
The Pks13/FadD32 crosstalk for the biosynthesis of mycolic acids in Mycobacterium tuberculosis.
The Journal of biological chemistry 284, 19255-19264 (Source: SUBMITTER) [PubMed:19436070]
[show Abstract]
Last Modified
26 February 2015