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CHEBI:138637 - 3-methyldodecanoyl-CoA(4−)

ChEBI IDCHEBI:138637
ChEBI Name3-methyldodecanoyl-CoA(4−)
Stars
ASCII Name3-methyldodecanoyl-CoA(4-)
DefinitionA medium chain fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-methyldodecanoyl-CoA; major species at pH 7.3.
Last Modified8 November 2021
Submitterlaimo
DownloadsMolfile
FormulaC34H56N7O17P3S
Net Charge-4
Average Mass959.843
Monoisotopic Mass959.26882
SMILESCCCCCCCCCC(C)CC(=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/C34H60N7O17P3S/c1-5-6-7-8-9-10-11-12-22(2)17-25(43)62-16-15-36-24(42)13-14-37-32(46)29(45)34(3,4)19-55-61(52,53)58-60(50,51)54-18-23-28(57-59(47,48)49)27(44)33(56-23)41-21-40-26-30(35)38-20-39-31(26)41/h20-23,27-29,33,44-45H,5-19H2,1-4H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/t22?,23-,27-,28-,29+,33-/m1/s1
InChIKeyIHISIHLMYMTWKU-UZDIFWIKSA-J
ChEBI Ontology
Outgoing Relation(s)
3-methyldodecanoyl-CoA(4−) (CHEBI:138637) is a 3-methyl fatty acyl-CoA(4−) (CHEBI:83968)
3-methyldodecanoyl-CoA(4−) (CHEBI:138637) is a medium-chain fatty acyl-CoA(4−) (CHEBI:90546)
3-methyldodecanoyl-CoA(4−) (CHEBI:138637) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
3-methyldodecanoyl-CoA(4−) (CHEBI:138637) is conjugate base of 3-methyldodecanoyl-CoA (CHEBI:139392)
Incoming Relation(s)
2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636) has functional parent 3-methyldodecanoyl-CoA(4−) (CHEBI:138637)
3-methyldodecanoyl-CoA (CHEBI:139392) is conjugate acid of 3-methyldodecanoyl-CoA(4−) (CHEBI:138637)
Synonyms  Source
3-methyllauroyl-CoA(4−)ChEBI
3-methyllauroyl-coenzyme A(4−)ChEBI
3-methyldodecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-methyldodecanoyl-CoAUniProt
Citations