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CHEBI:74247 - (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−)

ChEBI IDCHEBI:74247
ChEBI Name(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−)
Stars
ASCII Name(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4-)
DefinitionA polyunsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA.
Last Modified13 March 2017
Submitterlaimo
DownloadsMolfile
FormulaC51H80N7O17P3S
Net Charge-4
Average Mass1188.222
Monoisotopic Mass1187.45662
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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/C51H84N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42(60)79-35-34-53-41(59)32-33-54-49(63)46(62)51(2,3)37-72-78(69,70)75-77(67,68)71-36-40-45(74-76(64,65)66)44(61)50(73-40)58-39-57-43-47(52)55-38-56-48(43)58/h5-6,8-9,11-12,14-15,17-18,38-40,44-46,50,61-62H,4,7,10,13,16,19-37H2,1-3H3,(H,53,59)(H,54,63)(H,67,68)(H,69,70)(H2,52,55,56)(H2,64,65,66)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t40-,44-,45-,46+,50-/m1/s1
InChIKeyWPHHFWCXOZFJJJ-PWNBCAMESA-J
ChEBI Ontology
Outgoing Relation(s)
(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−) (CHEBI:74247) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−) (CHEBI:74247) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−) (CHEBI:74247) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−) (CHEBI:74247) is conjugate base of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA (CHEBI:74400)
Incoming Relation(s)
(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA (CHEBI:74400) is conjugate acid of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4−) (CHEBI:74247)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(15Z,18Z,21Z,24Z,27Z)-triaconta-15,18,21,24,27-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
C30:5(ω-3)-CoA(4−)SUBMITTER
15cis,18cis,21cis,24cis,27cis-triacontapentaenoyl-CoA(4−)SUBMITTER
(ω-3) triacontapentanoyl-CoA(4−)SUBMITTER
(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoAUniProt