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CHEBI:74263 - (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−)

ChEBI IDCHEBI:74263
ChEBI Name(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−)
Stars
ASCII Name(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA.
Last Modified4 April 2019
Submitterlaimo
DownloadsMolfile
FormulaC59H94N7O18P3S
Net Charge-4
Average Mass1314.421
Monoisotopic Mass1313.56108
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)CC(=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/C59H98N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-47(67)42-50(69)88-41-40-61-49(68)38-39-62-57(72)54(71)59(2,3)44-81-87(78,79)84-86(76,77)80-43-48-53(83-85(73,74)75)52(70)58(82-48)66-46-65-51-55(60)63-45-64-56(51)66/h5-6,8-9,11-12,14-15,17-18,45-46,48,52-54,58,70-71H,4,7,10,13,16,19-44H2,1-3H3,(H,61,68)(H,62,72)(H,76,77)(H,78,79)(H2,60,63,64)(H2,73,74,75)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t48-,52-,53-,54+,58-/m1/s1
InChIKeyZEEUUVSXEIWXBC-YGXFSRDHSA-J
ChEBI Ontology
Outgoing Relation(s)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−) (CHEBI:74263) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−) (CHEBI:74263) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−) (CHEBI:74263) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−) (CHEBI:74263) is conjugate base of (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA (CHEBI:74442)
Incoming Relation(s)
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA (CHEBI:74442) is conjugate acid of (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4−) (CHEBI:74263)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriaconta-23,26,29,32,35-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
3-oxo-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA(4−)SUBMITTER
3-keto-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA(4−)SUBMITTER
23cis,26cis,29cis,32cis,35cis-3-oxooctatriacontapentaenoyl-CoA(4−)SUBMITTER
(23Z,26Z,29Z,32Z,35Z)-3-ketooctatriacontapentaenoyl-coenzyme A(4−)ChEBI
(23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-coenzyme A(4−)ChEBI
3-oxo-C38:5(ω-3)-CoA(4−)ChEBI
UniProt Name  Source
3-oxo-(23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoAUniProt