CHEBI:74592 - (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA

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ChEBI Name (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA
ChEBI ID CHEBI:74592
ChEBI ASCII Name (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA
Definition An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C51H80N7O18P3S
Net Charge 0
Average Mass 1204.20300
Monoisotopic Mass 1203.44934
InChI InChI=1S/C51H80N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h5-6,8-9,11-12,14-15,17-18,20-21,37-38,40,44-46,50,62-63H,4,7,10,13,16,19,22-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-/t40-,44-,45-,46+,50-/m1/s1
InChIKey BFUZZODUNWZTTG-OOTIUQQPSA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA (CHEBI:74592) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA (CHEBI:74592) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA (CHEBI:74592) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA (CHEBI:74592) is conjugate acid of (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA(4−) (CHEBI:74313)
Incoming (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA(4−) (CHEBI:74313) is conjugate base of (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA (CHEBI:74592)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriconta-12,15,18,21,24,27-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
(12Z,15Z,18Z,21Z,24Z,27Z)-3-ketotriacontahexaenoyl-CoA ChEBI
(12Z,15Z,18Z,21Z,24Z,27Z)-3-ketotriacontahexaenoyl-coenzyme A ChEBI
(12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-coenzyme A ChEBI
3-oxo-C30:6(ω-3)-CoA ChEBI
all-cis-(ω-3)-3-oxotriacontahexaenoyl-CoA ChEBI
Last Modified
05 February 2019