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CHEBI:74328 - (11Z,14Z,17Z)-icosatrienoyl-CoA(4−)

ChEBI IDCHEBI:74328
ChEBI Name(11Z,14Z,17Z)-icosatrienoyl-CoA(4−)
Stars
ASCII Name(11Z,14Z,17Z)-icosatrienoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (11Z,14Z,17Z)-icosatrienoyl-CoA.
Last Modified27 July 2021
Submitterlaimo
DownloadsMolfile
FormulaC41H64N7O17P3S
Net Charge-4
Average Mass1051.984
Monoisotopic Mass1051.33142
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/C41H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h5-6,8-9,11-12,28-30,34-36,40,51-52H,4,7,10,13-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b6-5-,9-8-,12-11-/t30-,34-,35-,36+,40-/m1/s1
InChIKeyBVBYYRVLCDMZNJ-UBQHHBPXSA-J
ChEBI Ontology
Outgoing Relation(s)
(11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328) is a (11Z)-Δ11-fatty acyl-CoA(4−) (CHEBI:84947)
(11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328) is conjugate base of (11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606)
Incoming Relation(s)
(11Z,14Z,17Z)-icosatrienoyl-CoA (CHEBI:74606) is conjugate acid of (11Z,14Z,17Z)-icosatrienoyl-CoA(4−) (CHEBI:74328)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
(11Z,14Z,17Z)-eicosatrienoyl-CoA(4−)ChEBI
(11Z,14Z,17Z)-eicosatrienoyl-coenzyne A(4−)ChEBI
(11Z,14Z,17Z)-icosatrienoyl-coenzyne A(4−)ChEBI
C20:3(ω-3)-CoA(4−)SUBMITTER
cis-(ω-3)-icosatrienoyl-CoA(4−)SUBMITTER
UniProt Name  Source
(11Z,14Z,17Z)-eicosatrienoyl-CoAUniProt