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CHEBI:71544 - (E)-isopentadec-2-enoyl-CoA

ChEBI IDCHEBI:71544
ChEBI Name(E)-isopentadec-2-enoyl-CoA
Stars
ASCII Name(E)-isopentadec-2-enoyl-CoA
DefinitionA methyl-branched fatty acyl-CoA obtained from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-isopentadec-2-enoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC36H62N7O17P3S
Net Charge0
Average Mass989.913
Monoisotopic Mass989.31357
SMILESCC(C)CCCCCCCCC/C=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/C36H62N7O17P3S/c1-24(2)14-12-10-8-6-5-7-9-11-13-15-27(45)64-19-18-38-26(44)16-17-39-34(48)31(47)36(3,4)21-57-63(54,55)60-62(52,53)56-20-25-30(59-61(49,50)51)29(46)35(58-25)43-23-42-28-32(37)40-22-41-33(28)43/h13,15,22-25,29-31,35,46-47H,5-12,14,16-21H2,1-4H3,(H,38,44)(H,39,48)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/b15-13+/t25-,29-,30-,31+,35-/m1/s1
InChIKeyBRWSZHQQYCLCAA-LJMZAVAKSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(E)-isopentadec-2-enoyl-CoA (CHEBI:71544) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(E)-isopentadec-2-enoyl-CoA (CHEBI:71544) is a long-chain fatty acyl-CoA (CHEBI:33184)
(E)-isopentadec-2-enoyl-CoA (CHEBI:71544) is a methyl-branched fatty acyl-CoA (CHEBI:25271)
(E)-isopentadec-2-enoyl-CoA (CHEBI:71544) is conjugate acid of (E)-isopentadec-2-enoyl-CoA(4−) (CHEBI:71460)
Incoming Relation(s)
(E)-isopentadec-2-enoyl-CoA(4−) (CHEBI:71460) is conjugate base of (E)-isopentadec-2-enoyl-CoA (CHEBI:71544)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-13-methyltetradec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(E)-isopentadec-2-enoyl-coenzyme AChEBI
(E)-13-methyltetradec-2-enoyl-CoAChEBI
(E)-13-methyltetradec-2-enoyl-coenzyme AChEBI