EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90119 - (2E)-tricosenoyl-CoA(4−)

ChEBI IDCHEBI:90119
ChEBI Name(2E)-tricosenoyl-CoA(4−)
Stars
ASCII Name(2E)-tricosenoyl-CoA(4-)
DefinitionA monounsaturated fatty acyl-CoA(4−) obtaned by deprotonation of phosphate and diphosphate functions of (2E)-tricosenoyl-CoA; major species at pH 7.3.
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC44H74N7O17P3S
Net Charge-4
Average Mass1098.097
Monoisotopic Mass1097.40967
SMILESCCCCCCCCCCCCCCCCCCCC/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/C44H78N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(53)72-28-27-46-34(52)25-26-47-42(56)39(55)44(2,3)30-65-71(62,63)68-70(60,61)64-29-33-38(67-69(57,58)59)37(54)43(66-33)51-32-50-36-40(45)48-31-49-41(36)51/h23-24,31-33,37-39,43,54-55H,4-22,25-30H2,1-3H3,(H,46,52)(H,47,56)(H,60,61)(H,62,63)(H2,45,48,49)(H2,57,58,59)/p-4/b24-23+/t33-,37-,38-,39+,43-/m1/s1
InChIKeyCAWFROVHOZZJJP-DFNRIUMZSA-J
ChEBI Ontology
Outgoing Relation(s)
(2E)-tricosenoyl-CoA(4−) (CHEBI:90119) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E)-tricosenoyl-CoA(4−) (CHEBI:90119) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(2E)-tricosenoyl-CoA(4−) (CHEBI:90119) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
(2E)-tricosenoyl-CoA(4−) (CHEBI:90119) is conjugate base of (2E)-tricosenoyl-CoA (CHEBI:90277)
Incoming Relation(s)
(2E)-tricosenoyl-CoA (CHEBI:90277) is conjugate acid of (2E)-tricosenoyl-CoA(4−) (CHEBI:90119)
Synonyms  Source
trans-2-tricosenoyl-CoA(4−)SUBMITTER
(2E)-tricosenoyl-coenzyme A(4−)ChEBI
trans-2-tricosenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2E)-tricosenoyl-CoAUniProt