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CHEBI:74600 - (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA

ChEBI IDCHEBI:74600
ChEBI Name(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA
Stars
ASCII Name(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoic acid.
Last Modified5 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC53H86N7O17P3S
Net Charge0
Average Mass1218.292
Monoisotopic Mass1217.50138
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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/C53H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-44(62)81-37-36-55-43(61)34-35-56-51(65)48(64)53(2,3)39-74-80(71,72)77-79(69,70)73-38-42-47(76-78(66,67)68)46(63)52(75-42)60-41-59-45-49(54)57-40-58-50(45)60/h5-6,8-9,11-12,14-15,17-18,20-21,40-42,46-48,52,63-64H,4,7,10,13,16,19,22-39H2,1-3H3,(H,55,61)(H,56,65)(H,69,70)(H,71,72)(H2,54,57,58)(H2,66,67,68)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t42-,46-,47-,48+,52-/m1/s1
InChIKeyWFUHXHKCMNTWFI-RRVBCPTNSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:74600) has functional parent (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoic acid (CHEBI:77403)
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:74600) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:74600) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:74600) is conjugate acid of (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−) (CHEBI:74317)
Incoming Relation(s)
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−) (CHEBI:74317) is conjugate base of (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:74600)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(14Z,17Z,20Z,23Z,26Z,29Z)-dotriaconta-14,17,20,23,26,29-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
all-cis-(ω-3)-dotriacontahexaenoyl-CoAChEBI
(14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-coenzyme AChEBI
C32:6(ω-3)-CoAChEBI