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CHEBI:139392 - 3-methyldodecanoyl-CoA

ChEBI IDCHEBI:139392
ChEBI Name3-methyldodecanoyl-CoA
Stars
DefinitionA hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methyldodecanoic acid.
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC34H60N7O17P3S
Net Charge0
Average Mass963.875
Monoisotopic Mass963.29792
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)/t22?,23-,27-,28-,29+,33-/m1/s1
InChIKeyIHISIHLMYMTWKU-UZDIFWIKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-methyldodecanoyl-CoA (CHEBI:139392) is a medium-chain fatty acyl-CoA (CHEBI:61907)
3-methyldodecanoyl-CoA (CHEBI:139392) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
3-methyldodecanoyl-CoA (CHEBI:139392) is a saturated fatty acyl-CoA (CHEBI:231546)
3-methyldodecanoyl-CoA (CHEBI:139392) is conjugate acid of 3-methyldodecanoyl-CoA(4−) (CHEBI:138637)
Incoming Relation(s)
3-methyldodecanoyl-CoA(4−) (CHEBI:138637) is conjugate base of 3-methyldodecanoyl-CoA (CHEBI:139392)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyldodecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
3-methyldodecanoyl-coenzyme AChEBI
3-methyllauroyl-CoAChEBI
3-methyllauroyl-coenzyme AChEBI
Citations