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CHEBI:62243 - trans,trans-octa-2,4-dienoyl-CoA(4−)

ChEBI IDCHEBI:62243
ChEBI Nametrans,trans-octa-2,4-dienoyl-CoA(4−)
Stars
ASCII Nametrans,trans-octa-2,4-dienoyl-CoA(4-)
DefinitionA trans,trans-2,3,4,5-tetradehydroacyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of trans,trans-octa-2,4-dienoyl-CoA; major species at pH 7.3.
Last Modified5 March 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC29H42N7O17P3S
Net Charge-4
Average Mass885.676
Monoisotopic Mass885.15927
SMILESCCC/C=C/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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C29H46N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36/h6-9,16-18,22-24,28,39-40H,4-5,10-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/p-4/b7-6+,9-8+/t18-,22-,23-,24+,28-/m1/s1
InChIKeyHOQIPZYVEOMJGX-FPWOLYQWSA-J
ChEBI Ontology
Outgoing Relation(s)
trans,trans-octa-2,4-dienoyl-CoA(4−) (CHEBI:62243) is a 6-saturated-trans,trans-2,4-dienoyl-CoA(4−) (CHEBI:85111)
trans,trans-octa-2,4-dienoyl-CoA(4−) (CHEBI:62243) is a acyl-CoA(4−) (CHEBI:58342)
trans,trans-octa-2,4-dienoyl-CoA(4−) (CHEBI:62243) is conjugate base of trans,trans-octa-2,4-dienoyl-CoA (CHEBI:62408)
Incoming Relation(s)
trans,trans-octa-2,4-dienoyl-CoA (CHEBI:62408) is conjugate acid of trans,trans-octa-2,4-dienoyl-CoA(4−) (CHEBI:62243)
Synonyms  Source
trans,trans-2,3,4,5-tetradehydroacyl-CoA (C8) (4−)SUBMITTER
trans-Δ2,trans-Δ4-octadienoyl-CoA(4−)ChEBI
(2E,4E)-octa-2,4-dienoyl-CoA(4−)ChEBI
(E,E)-octa-2,4-dienoyl-CoA(4−)ChEBI
UniProt Name  Source
(2E,4E)-octadienoyl-CoAUniProt