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

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ChEBI Name (2E)-tricosenoyl-CoA(4−)
ChEBI ID CHEBI:90119
ChEBI ASCII Name (2E)-tricosenoyl-CoA(4-)
Definition A monounsaturated fatty acyl-CoA(4−) obtaned by deprotonation of phosphate and diphosphate functions of (2E)-tricosenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C44H74N7O17P3S
Net Charge -4
Average Mass 1098.084
Monoisotopic Mass 1097.40967
InChI InChI=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
InChIKey CAWFROVHOZZJJP-DFNRIUMZSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)/C=C/CCCCCCCCCCCCCCCCCCCC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (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 conjugate base of (2E)-tricosenoyl-CoA (CHEBI:90277)
Incoming (2E)-tricosenoyl-CoA (CHEBI:90277) is conjugate acid of (2E)-tricosenoyl-CoA(4−) (CHEBI:90119)
Synonyms Sources
(2E)-tricosenoyl-CoA UniProt
(2E)-tricosenoyl-coenzyme A(4−) ChEBI
trans-2-tricosenoyl-CoA(4−) SUBMITTER
trans-2-tricosenoyl-coenzyme A(4−) ChEBI
Last Modified
09 November 2015