CHEBI:76364 - (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4−)

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ChEBI Name (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4−)
ChEBI ID CHEBI:76364
ChEBI ASCII Name (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4-)
Definition A 2,3-trans-enoyl CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-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 C45H66N7O17P3S
Net Charge -4
Average Mass 1102.02900
Monoisotopic Mass 1101.34707
InChI InChI=1S/C45H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h8-9,11-12,14-15,17-18,20-21,24-25,32-34,38-40,44,55-56H,4-7,10,13,16,19,22-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-,25-24+/t34-,38-,39-,40+,44-/m1/s1
InChIKey UYOKHWFEUAJFMG-UIYHDVLFSA-J
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:76364) is a 2,3-trans-enoyl CoA(4−) (CHEBI:58856)
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:76364) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:76364) is conjugate base of (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA (CHEBI:76447)
Incoming (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA (CHEBI:76447) is conjugate acid of (2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:76364)
Synonyms Sources
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-CoA UniProt
(2E,6Z,9Z,12Z,15Z,18Z)-tetracosahexaenoyl-coenzyme A(4−) SUBMITTER
Last Modified
27 July 2021