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CHEBI:74319 - (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−)

ChEBI IDCHEBI:74319
ChEBI Name(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−)
Stars
ASCII Name(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA.
Last Modified5 December 2016
Submitterlaimo
DownloadsMolfile
FormulaC55H86N7O17P3S
Net Charge-4
Average Mass1242.314
Monoisotopic Mass1241.50357
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=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/C55H90N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-46(64)83-39-38-57-45(63)36-37-58-53(67)50(66)55(2,3)41-76-82(73,74)79-81(71,72)75-40-44-49(78-80(68,69)70)48(65)54(77-44)62-43-61-47-51(56)59-42-60-52(47)62/h5-6,8-9,11-12,14-15,17-18,20-21,42-44,48-50,54,65-66H,4,7,10,13,16,19,22-41H2,1-3H3,(H,57,63)(H,58,67)(H,71,72)(H,73,74)(H2,56,59,60)(H2,68,69,70)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-,48-,49-,50+,54-/m1/s1
InChIKeyFXRHOTNQXWRAIF-MPCBISQCSA-J
ChEBI Ontology
Outgoing Relation(s)
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−) (CHEBI:74319) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−) (CHEBI:74319) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−) (CHEBI:74319) is conjugate base of (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA (CHEBI:74602)
Incoming Relation(s)
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA (CHEBI:74602) is conjugate acid of (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4−) (CHEBI:74319)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriconta-16,19,22,25,28,31-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-coenzyme A(4−)SUBMITTER
all-cis-(ω-3)-tetratriacontahexaenoyl-CoA(4−)SUBMITTER
C34:6(ω-3)-CoA(4−)ChEBI
UniProt Name  Source
(16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoAUniProt