CHEBI:84847 - 2,6-dimethylheptanoyl-CoA(4−)

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ChEBI Name 2,6-dimethylheptanoyl-CoA(4−)
ChEBI ID CHEBI:84847
ChEBI ASCII Name 2,6-dimethylheptanoyl-CoA(4-)
Definition A multi-methyl-branched fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,6-dimethylheptanoyl-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 C30H48N7O17P3S
Net Charge -4
Average Mass 903.72700
Monoisotopic Mass 903.20622
InChI InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18?,19-,22-,23-,24+,28-/m1/s1
InChIKey GPXWBKWDXPBLKS-LNSOOWQSSA-J
SMILES CC(C)CCCC(C)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 2,6-dimethylheptanoyl-CoA(4−) (CHEBI:84847) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
2,6-dimethylheptanoyl-CoA(4−) (CHEBI:84847) is a multi-methyl-branched fatty acyl-CoA(4−) (CHEBI:68458)
2,6-dimethylheptanoyl-CoA(4−) (CHEBI:84847) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
2,6-dimethylheptanoyl-CoA(4−) (CHEBI:84847) is conjugate base of 2,6-dimethylheptanoyl-CoA (CHEBI:85504)
Incoming (2R)-2,6-dimethylheptanoyl-CoA(4−) (CHEBI:86982) is a 2,6-dimethylheptanoyl-CoA(4−) (CHEBI:84847)
(2S)-2,6-dimethylheptanoyl-CoA(4−) (CHEBI:86983) is a 2,6-dimethylheptanoyl-CoA(4−) (CHEBI:84847)
2,6-dimethylheptanoyl-CoA (CHEBI:85504) is conjugate acid of 2,6-dimethylheptanoyl-CoA(4−) (CHEBI:84847)
Synonym Source
2,6-dimethylheptanoyl-CoA UniProt
Citation
Violante S, Ijlst L, Ruiter J, Koster J, van Lenthe H, Duran M, de Almeida IT, Wanders RJ, Houten SM, Ventura FV (2013)
Substrate specificity of human carnitine acetyltransferase: Implications for fatty acid and branched-chain amino acid metabolism.
Biochimica et biophysica acta 1832, 773-779 (Source: SUBMITTER) [PubMed:23485643]
[show Abstract]
Last Modified
09 December 2015