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

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ChEBI Name (E)-isopentadec-2-enoyl-CoA
ChEBI ID CHEBI:71544
ChEBI ASCII Name (E)-isopentadec-2-enoyl-CoA
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C36H62N7O17P3S
Net Charge 0
Average Mass 989.90000
Monoisotopic Mass 989.31358
InChI InChI=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
InChIKey BRWSZHQQYCLCAA-LJMZAVAKSA-N
SMILES CC(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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(E)-13-methyltetradec-2-enoyl-CoA ChEBI
(E)-13-methyltetradec-2-enoyl-coenzyme A ChEBI
(E)-isopentadec-2-enoyl-coenzyme A ChEBI
Last Modified
31 March 2015