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CHEBI:74601 - (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA

ChEBI IDCHEBI:74601
ChEBI Name(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA
Stars
ASCII Name(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA
DefinitionAn unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoic acid.
Last Modified5 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC55H88N7O18P3S
Net Charge0
Average Mass1260.329
Monoisotopic Mass1259.51194
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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/C55H88N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-43(63)38-46(65)84-37-36-57-45(64)34-35-58-53(68)50(67)55(2,3)40-77-83(74,75)80-82(72,73)76-39-44-49(79-81(69,70)71)48(66)54(78-44)62-42-61-47-51(56)59-41-60-52(47)62/h5-6,8-9,11-12,14-15,17-18,20-21,41-42,44,48-50,54,66-67H,4,7,10,13,16,19,22-40H2,1-3H3,(H,57,64)(H,58,68)(H,72,73)(H,74,75)(H2,56,59,60)(H2,69,70,71)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t44-,48-,49-,50+,54-/m1/s1
InChIKeyDSDSWZHOYIWIQK-MPCBISQCSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA (CHEBI:74601) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA (CHEBI:74601) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA (CHEBI:74601) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA (CHEBI:74601) is conjugate acid of (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA(4−) (CHEBI:74318)
Incoming Relation(s)
(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA(4−) (CHEBI:74318) is conjugate base of (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA (CHEBI:74601)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriconta-16,19,22,25,28,31-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-coenzyme AChEBI
(16Z,19Z,22Z,25Z,28Z,31Z)-3-ketotetratriacontahexaenoyl-CoAChEBI
3-oxo-C34:6(ω-3)-CoAChEBI
(16Z,19Z,22Z,25Z,28Z,31Z)-3-ketotetratriacontahexaenoyl-coenzyme AChEBI
3-oxo-all-cis-(ω-3)-tetratriacontahexaenoyl-CoAChEBI