CHEBI:76658 - (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA

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ChEBI Name (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA
ChEBI ID CHEBI:76658
ChEBI ASCII Name (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-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 (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C53H86N7O17P3S
Net Charge 0
Average Mass 1218.27300
Monoisotopic Mass 1217.50138
InChI InChI=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/h5-6,8-9,11-12,14-15,17-18,32-33,40-42,46-48,52,63-64H,4,7,10,13,16,19-31,34-39H2,1-3H3,(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-,33-32+/t42-,46-,47-,48+,52-/m1/s1
InChIKey NROCEZUQNQCDIT-HAZLEPNUSA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC\C=C\C(=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 (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:76658) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:76658) is a unsaturated fatty acyl-CoA (CHEBI:51006)
(2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:76658) is conjugate acid of (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−) (CHEBI:76474)
Incoming (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4−) (CHEBI:76474) is conjugate base of (2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA (CHEBI:76658)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,17Z,20Z,23Z,26Z,29Z)-dotriaconta-2,17,20,23,26,29-hexaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym Source
(2E,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-coenzyme A ChEBI
Last Modified
05 February 2019