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CHEBI:88083 - (3E)-tetradecenoyl-CoA

ChEBI IDCHEBI:88083
ChEBI Name(3E)-tetradecenoyl-CoA
Stars
ASCII Name(3E)-tetradecenoyl-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)-tetradecenoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC35H60N7O17P3S
Net Charge0
Average Mass975.886
Monoisotopic Mass975.29792
SMILESCCCCCCCCCC/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/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h13-14,22-24,28-30,34,45-46H,4-12,15-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/b14-13+/t24-,28-,29-,30+,34-/m1/s1
InChIKeySSOCUKXLUZQJHU-CTFJFIKLSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(3E)-tetradecenoyl-CoA (CHEBI:88083) is a long-chain fatty acyl-CoA (CHEBI:33184)
(3E)-tetradecenoyl-CoA (CHEBI:88083) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(3E)-tetradecenoyl-CoA (CHEBI:88083) is conjugate acid of (3E)-tetradecenoyl-CoA(4−) (CHEBI:87710)
Incoming Relation(s)
(3E)-tetradecenoyl-CoA(4−) (CHEBI:87710) is conjugate base of (3E)-tetradecenoyl-CoA (CHEBI:88083)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3E)-tetradec-3-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
Synonyms  Source
trans-3-tetradecenoyl-coenzyme AChEBI
trans-3-tetradecenoyl-CoAChEBI
(3E)-tetradecenoyl-coenzyme AChEBI
Manual XrefsDatabases
CPD-15567MetaCyc