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CHEBI:74512 - (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA

ChEBI IDCHEBI:74512
ChEBI Name(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA
Stars
ASCII Name(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (17Z,20Z,23Z,26Z)-dotriacontatetraenoic acid.
Last Modified5 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC53H90N7O17P3S
Net Charge0
Average Mass1222.324
Monoisotopic Mass1221.53268
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=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/C53H90N7O17P3S/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/h8-9,11-12,14-15,17-18,40-42,46-48,52,63-64H,4-7,10,13,16,19-39H2,1-3H3,(H,55,61)(H,56,65)(H,69,70)(H,71,72)(H2,54,57,58)(H2,66,67,68)/b9-8-,12-11-,15-14-,18-17-/t42-,46-,47-,48+,52-/m1/s1
InChIKeyAZSLDHILIKNKKU-CCCQGKLYSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA (CHEBI:74512) has functional parent (17Z,20Z,23Z,26Z)-dotriacontatetraenoic acid (CHEBI:77535)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA (CHEBI:74512) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA (CHEBI:74512) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA (CHEBI:74512) is conjugate acid of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−) (CHEBI:74289)
Incoming Relation(s)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−) (CHEBI:74289) is conjugate base of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA (CHEBI:74512)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(17Z,20Z,23Z,26Z)-dotriaconta-17,20,23,26-tetraenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-coenzyme AChEBI
C32:4(ω-6)-CoAChEBI