CHEBI:74298 - (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−)

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ChEBI Name (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−)
ChEBI ID CHEBI:74298
ChEBI ASCII Name (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C43H62N7O17P3S
Net Charge -4
Average Mass 1073.97500
Monoisotopic Mass 1073.31577
InChI InChI=1S/C43H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-21,30-32,36-38,42,53-54H,4,7,10,13,16,19,22-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t32-,36-,37-,38+,42-/m1/s1
InChIKey MENFZXMQSYYVRK-CRCGJGBYSA-J
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=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 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−) (CHEBI:74298) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−) (CHEBI:74298) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−) (CHEBI:74298) is conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132)
Incoming (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA (CHEBI:65132) is conjugate acid of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4−) (CHEBI:74298)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA UniProt
(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A(4−) SUBMITTER
all-cis-(ω-3)-docosahexanoyl-CoA(4−) SUBMITTER
C22:6(ω-3)-CoA(4−) SUBMITTER
Last Modified
05 December 2016