EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85642 - (6Z,9Z,11E)-octadecatrienoyl-CoA(4−)

ChEBI IDCHEBI:85642
ChEBI Name(6Z,9Z,11E)-octadecatrienoyl-CoA(4−)
Stars
ASCII Name(6Z,9Z,11E)-octadecatrienoyl-CoA(4-)
DefinitionAn octadecatrienoyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (6Z,9Z,11E)-octadecatrienoyl-CoA; major species at pH 7.3.
Last Modified1 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC39H60N7O17P3S
Net Charge-4
Average Mass1023.930
Monoisotopic Mass1023.30012
SMILESCCCCCC/C=C/C=C\C/C=C\CCCCC(=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/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h9-12,14-15,26-28,32-34,38,49-50H,4-8,13,16-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/p-4/b10-9+,12-11-,15-14-/t28-,32-,33-,34+,38-/m1/s1
InChIKeyOSAKHLZULJEFTD-FJHKCSJXSA-J
ChEBI Ontology
Outgoing Relation(s)
(6Z,9Z,11E)-octadecatrienoyl-CoA(4−) (CHEBI:85642) is a octadecatrienoyl-CoA(4−) (CHEBI:139563)
(6Z,9Z,11E)-octadecatrienoyl-CoA(4−) (CHEBI:85642) is conjugate base of (6Z,9Z,11E)-octadecatrienoyl-CoA (CHEBI:85940)
Incoming Relation(s)
(6Z,9Z,11E)-octadecatrienoyl-CoA (CHEBI:85940) is conjugate acid of (6Z,9Z,11E)-octadecatrienoyl-CoA(4−) (CHEBI:85642)
Synonyms  Source
cis,cis,trans-6,9,11-octadecatrienoyl-CoA(4−)SUBMITTER
cis6,cis9,trans11-octadecatrienoyl-CoA(4−)ChEBI
cis,cis,trans-6,9,11-octadecatrienoyl-coenzyme A(4−)ChEBI
cis6,cis9,trans11-octadecatrienoyl-coenzyme A(4−)ChEBI
(6Z,9Z,11E)-octadecatrienoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(6Z,9Z,11E)-octadecatrienoyl-CoAUniProt