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CHEBI:85077 - isomyristoyl-CoA

ChEBI IDCHEBI:85077
ChEBI Nameisomyristoyl-CoA
Stars
DefinitionA long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of isomyristic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC35H62N7O17P3S
Net Charge0
Average Mass977.902
Monoisotopic Mass977.31357
SMILESCC(C)CCCCCCCCCCC(=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/C35H62N7O17P3S/c1-23(2)13-11-9-7-5-6-8-10-12-14-26(44)63-18-17-37-25(43)15-16-38-33(47)30(46)35(3,4)20-56-62(53,54)59-61(51,52)55-19-24-29(58-60(48,49)50)28(45)34(57-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,45-46H,5-20H2,1-4H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
InChIKeyAIBXWGHBFFDDCX-QSGBVPJFSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
isomyristoyl-CoA (CHEBI:85077) has functional parent isomyristic acid (CHEBI:43722)
isomyristoyl-CoA (CHEBI:85077) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
isomyristoyl-CoA (CHEBI:85077) is a long-chain fatty acyl-CoA (CHEBI:33184)
isomyristoyl-CoA (CHEBI:85077) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
isomyristoyl-CoA (CHEBI:85077) is conjugate acid of isomyristoyl-CoA(4−) (CHEBI:84195)
Incoming Relation(s)
isomyristoyl-CoA(4−) (CHEBI:84195) is conjugate base of isomyristoyl-CoA (CHEBI:85077)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(12-methyltridecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
isotetradecanoyl-CoAChEBI
12-methyltridecanoyl-coenzyme AChEBI
12-methyltridecanoyl-CoAChEBI
isomyristoyl-coenzyme AChEBI
isotetradecanoyl-coenzyme AChEBI