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CHEBI:74316 - (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4−)

ChEBI IDCHEBI:74316
ChEBI Name(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4−)
Stars
ASCII Name(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA.
Last Modified4 April 2019
Submitterlaimo
DownloadsMolfile
FormulaC53H80N7O18P3S
Net Charge-4
Average Mass1228.243
Monoisotopic Mass1227.45153
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)CC(=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/C53H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h5-6,8-9,11-12,14-15,17-18,20-21,39-40,42,46-48,52,64-65H,4,7,10,13,16,19,22-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t42-,46-,47-,48+,52-/m1/s1
InChIKeyAZGXVSZAGKTMIU-RRVBCPTNSA-J
ChEBI Ontology
Outgoing Relation(s)
(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4−) (CHEBI:74316) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4−) (CHEBI:74316) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4−) (CHEBI:74316) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4−) (CHEBI:74316) is conjugate base of (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA (CHEBI:74595)
Incoming Relation(s)
(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA (CHEBI:74595) is conjugate acid of (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4−) (CHEBI:74316)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriconta-14,17,20,23,26,29-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
3-oxo-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−)SUBMITTER
3-keto-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−)SUBMITTER
3-oxo-all-cis-(ω-3)-dotriacontahexaenoyl-CoA(4−)SUBMITTER
3-oxo-C32:6(ω-3)-CoA(4−)ChEBI
(14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-coenzyme A(4−)ChEBI
(14Z,17Z,20Z,23Z,26Z,29Z)-3-ketodotriacontahexaenoyl-CoA(4−)ChEBI
UniProt Name  Source
3-oxo-(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoAUniProt