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CHEBI:139376 - 2-hydroxy-3-methyldodecanoyl-CoA

ChEBI IDCHEBI:139376
ChEBI Name2-hydroxy-3-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 2-hydroxy-3-methyldodecanoic acid.
Last Modified9 January 2018
SubmitterSteve
DownloadsMolfile
FormulaC34H60N7O18P3S
Net Charge0
Average Mass979.874
Monoisotopic Mass979.29284
SMILESCCCCCCCCCC(C)C(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/C34H60N7O18P3S/c1-5-6-7-8-9-10-11-12-21(2)25(43)33(47)63-16-15-36-23(42)13-14-37-31(46)28(45)34(3,4)18-56-62(53,54)59-61(51,52)55-17-22-27(58-60(48,49)50)26(44)32(57-22)41-20-40-24-29(35)38-19-39-30(24)41/h19-22,25-28,32,43-45H,5-18H2,1-4H3,(H,36,42)(H,37,46)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/t21?,22-,25?,26-,27-,28+,32-/m1/s1
InChIKeyQVMHSWYPRSCCHY-ZVRLPPNOSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376) is a medium-chain fatty acyl-CoA (CHEBI:61907)
2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376) is conjugate acid of 2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636)
Incoming Relation(s)
2-hydroxy-3-methyldodecanoyl-CoA(4−) (CHEBI:138636) is conjugate base of 2-hydroxy-3-methyldodecanoyl-CoA (CHEBI:139376)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-3-methyldodecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-hydroxy-3-methyldodecanoyl-coenzyme AChEBI
2-hydroxy-3-methyllauroyl-CoAChEBI
2-hydroxy-3-methyllauroyl-coenzyme AChEBI
Citations