CHEBI:74086 - (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−)

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ChEBI Name (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−)
ChEBI ID CHEBI:74086
ChEBI ASCII Name (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4-)
Definition An acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter abridge
Supplier Information
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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/h5-6,8-9,11-12,14-15,17-18,20-21,32-34,38-40,44,55-56H,4,7,10,13,16,19,22-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t34-,38-,39-,40+,44-/m1/s1
InChIKey KRIFZIRXAAITHR-KWFBMMABSA-J
SMILES CC\C=C/C\C=C/C\C=C/C\C=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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:74086) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:74086) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:74086) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:74086) is conjugate base of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540)
Incoming (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA (CHEBI:63540) is conjugate acid of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA(4−) (CHEBI:74086)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-[(2-{[(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosa-6,9,12,15,18,21-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)butyl] diphosphate}
Synonyms Sources
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA UniProt
(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-coenzyme A(4−) ChEBI
Last Modified
27 July 2021