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CHEBI:85960 - (3E)-nonenoyl-CoA

ChEBI IDCHEBI:85960
ChEBI Name(3E)-nonenoyl-CoA
Stars
ASCII Name(3E)-nonenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3E)-nonenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC30H50N7O17P3S
Net Charge0
Average Mass905.751
Monoisotopic Mass905.21967
SMILESCCCCC/C=C/CC(=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/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/h8-9,17-19,23-25,29,40-41H,4-7,10-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/b9-8+/t19-,23-,24-,25+,29-/m1/s1
InChIKeyVCVDAYMNOMYZHZ-KZKUDURGSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3E)-nonenoyl-CoA (CHEBI:85960) is a medium-chain fatty acyl-CoA (CHEBI:61907)
(3E)-nonenoyl-CoA (CHEBI:85960) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(3E)-nonenoyl-CoA (CHEBI:85960) is conjugate acid of (3E)-nonenoyl-CoA(4−) (CHEBI:85655)
Incoming Relation(s)
(3E)-nonenoyl-CoA(4−) (CHEBI:85655) is conjugate base of (3E)-nonenoyl-CoA (CHEBI:85960)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(3E)-non-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(E)-non-3-enoyl-coenzyme AChEBI
(3E)-nonenoyl-coenzyme AChEBI
trans-3-nonenoyl-CoAChEBI
(E)-non-3-enoyl-CoAChEBI
trans-3-nonenoyl-coenzyme AChEBI