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CHEBI:77244 - (10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4−)

ChEBI IDCHEBI:77244
ChEBI Name(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4−)
Stars
ASCII Name(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA; major species at pH 7.3.
Last Modified6 February 2019
Submitterlaimo
DownloadsMolfile
FormulaC49H76N7O17P3S
Net Charge-4
Average Mass1160.168
Monoisotopic Mass1159.42532
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=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/C49H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-40(58)77-33-32-51-39(57)30-31-52-47(61)44(60)49(2,3)35-70-76(67,68)73-75(65,66)69-34-38-43(72-74(62,63)64)42(59)48(71-38)56-37-55-41-45(50)53-36-54-46(41)56/h8-9,11-12,14-15,17-18,20-21,36-38,42-44,48,59-60H,4-7,10,13,16,19,22-35H2,1-3H3,(H,51,57)(H,52,61)(H,65,66)(H,67,68)(H2,50,53,54)(H2,62,63,64)/p-4/b9-8-,12-11-,15-14-,18-17-,21-20-/t38-,42-,43-,44+,48-/m1/s1
InChIKeyWUPINJJPVXNFQE-FAQSSOEWSA-J
ChEBI Ontology
Outgoing Relation(s)
(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4−) (CHEBI:77244) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4−) (CHEBI:77244) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4−) (CHEBI:77244) is conjugate base of (10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA (CHEBI:77544)
Incoming Relation(s)
(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA (CHEBI:77544) is conjugate acid of (10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoA(4−) (CHEBI:77244)
Synonyms  Source
(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-coenzyme A(4−)SUBMITTER
C28:5(ω-6)-CoA(4−)SUBMITTER
UniProt Name  Source
(10Z,13Z,16Z,19Z,22Z)-octacosapentaenoyl-CoAUniProt