CHEBI:76314 - trans-2-nonenoyl-CoA

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ChEBI Name trans-2-nonenoyl-CoA
ChEBI ID CHEBI:76314
ChEBI ASCII Name trans-2-nonenoyl-CoA
Definition A 2,3-trans-enoyl CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-nonenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50N7O17P3S
Net Charge 0
Average Mass 905.74100
Monoisotopic Mass 905.21968
InChI InChI=1S/C30H50N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h9-10,17-19,23-25,29,40-41H,4-8,11-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b10-9+/t19-,23-,24-,25+,29-/m1/s1
InChIKey HBLOTZDYPZAZLE-OWQWVSLFSA-N
SMILES CCCCCC\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 trans-2-nonenoyl-CoA (CHEBI:76314) is a trans-2-enoyl-CoA (CHEBI:50998)
trans-2-nonenoyl-CoA (CHEBI:76314) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
trans-2-nonenoyl-CoA (CHEBI:76314) is conjugate acid of trans-2-nonenoyl-CoA(4−) (CHEBI:76292)
Incoming trans-2-nonenoyl-CoA(4−) (CHEBI:76292) is conjugate base of trans-2-nonenoyl-CoA (CHEBI:76314)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-non-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(E)-non-2-enoyl-CoA ChEBI
(E)-non-2-enoyl-coenzyme A ChEBI
trans-2-nonenoyl-coenzyme A ChEBI
Last Modified
05 February 2018