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CHEBI:87173 - (2R)-2-methyltetradecanoyl-CoA

ChEBI IDCHEBI:87173
ChEBI Name(2R)-2-methyltetradecanoyl-CoA
Stars
ASCII Name(2R)-2-methyltetradecanoyl-CoA
DefinitionA (2R)-2-methylacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2R)-2-methyltetradecanoic acid.
Last Modified28 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC36H64N7O17P3S
Net Charge0
Average Mass991.929
Monoisotopic Mass991.32922
SMILESCCCCCCCCCCCC[C@@H](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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C36H64N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-24(2)35(48)64-19-18-38-26(44)16-17-39-33(47)30(46)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-29(59-61(49,50)51)28(45)34(58-25)43-23-42-27-31(37)40-22-41-32(27)43/h22-25,28-30,34,45-46H,5-21H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t24-,25-,28-,29-,30+,34-/m1/s1
InChIKeyKJEFZXSIQKASDI-MOTPQXBDSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-methyltetradecanoyl-CoA (CHEBI:87173) is a (2R)-2-methylacyl-CoA (CHEBI:15450)
(2R)-2-methyltetradecanoyl-CoA (CHEBI:87173) is a long-chain fatty acyl-CoA (CHEBI:33184)
(2R)-2-methyltetradecanoyl-CoA (CHEBI:87173) is conjugate acid of (2R)-2-methyltetradecanoyl-CoA(4−) (CHEBI:86520)
Incoming Relation(s)
(2R)-2-methyltetradecanoyl-CoA(4−) (CHEBI:86520) is conjugate base of (2R)-2-methyltetradecanoyl-CoA (CHEBI:87173)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyltetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(2R)-2-methyltetradecanoyl-coenzyme AChEBI
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