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CHEBI:77170 - (2E)-tetradecenedioyl-CoA

ChEBI IDCHEBI:77170
ChEBI Name(2E)-tetradecenedioyl-CoA
Stars
ASCII Name(2E)-tetradecenedioyl-CoA
DefinitionAn acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the 1-carboxy group of (2E)-tetradecenedioic acid.
Last Modified3 February 2014
SubmitterSteve
DownloadsMolfile
FormulaC35H58N7O19P3S
Net Charge0
Average Mass1005.868
Monoisotopic Mass1005.27210
SMILESCC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCCCCCCCC(=O)O
InChIInChI=1S/C35H58N7O19P3S/c1-35(2,30(48)33(49)38-16-15-24(43)37-17-18-65-26(46)14-12-10-8-6-4-3-5-7-9-11-13-25(44)45)20-58-64(55,56)61-63(53,54)57-19-23-29(60-62(50,51)52)28(47)34(59-23)42-22-41-27-31(36)39-21-40-32(27)42/h12,14,21-23,28-30,34,47-48H,3-11,13,15-20H2,1-2H3,(H,37,43)(H,38,49)(H,44,45)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/b14-12+/t23-,28-,29-,30+,34-/m1/s1
InChIKeySFSYDKBWVPWWFQ-KHXGTSCESA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2E)-tetradecenedioyl-CoA (CHEBI:77170) is a acyl-CoA (CHEBI:17984)
(2E)-tetradecenedioyl-CoA (CHEBI:77170) is conjugate acid of (2E)-tetradecenedioyl-CoA(5−) (CHEBI:77039)
Incoming Relation(s)
(2E)-tetradecenedioyl-CoA(5−) (CHEBI:77039) is conjugate base of (2E)-tetradecenedioyl-CoA (CHEBI:77170)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-13-carboxytridec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
trans-2-tetradecenedioyl-coenzyme AChEBI
trans-2-tetradecenedioyl-CoAChEBI
(2E)-tetradecenedioyl-coenzyme AChEBI