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CHEBI:87794 - (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4−)

ChEBI IDCHEBI:87794
ChEBI Name(16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4−)
Stars
ASCII Name(16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA; major species at pH 7.3.
Last Modified21 September 2015
Submitterabridge
DownloadsMolfile
FormulaC55H88N7O17P3S
Net Charge-4
Average Mass1244.330
Monoisotopic Mass1243.51922
SMILESCCCCC/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/C55H92N7O17P3S/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/h8-9,11-12,14-15,17-18,20-21,42-44,48-50,54,65-66H,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/b9-8-,12-11-,15-14-,18-17-,21-20-/t44-,48-,49-,50+,54-/m1/s1
InChIKeyDKGVLECOSNIGFF-ZHAZIHDPSA-J
ChEBI Ontology
Outgoing Relation(s)
(16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4−) (CHEBI:87794) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4−) (CHEBI:87794) is conjugate base of (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA (CHEBI:87976)
Incoming Relation(s)
(16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA (CHEBI:87976) is conjugate acid of (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA(4−) (CHEBI:87794)
Synonyms  Source
34:5n-6-CoASUBMITTER
34:5(n-6)-CoASUBMITTER
C34:5(ω-6)-CoASUBMITTER
UniProt Name  Source
(16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoAUniProt