CHEBI:74254 - (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4−)

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ChEBI Name (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4−)
ChEBI ID CHEBI:74254
ChEBI ASCII Name (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C53H82N7O18P3S
Net Charge -4
Average Mass 1230.24100
Monoisotopic Mass 1229.46719
InChI InChI=1S/C53H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h5-6,8-9,11-12,14-15,17-18,39-40,42,46-48,52,64-65H,4,7,10,13,16,19-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t42-,46-,47-,48+,52-/m1/s1
InChIKey HJUCRMBCCUXJJG-VDFNWWPHSA-J
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=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
ChEBI Ontology
Outgoing (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4−) (CHEBI:74254) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4−) (CHEBI:74254) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4−) (CHEBI:74254) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4−) (CHEBI:74254) is conjugate base of (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA (CHEBI:74402)
Incoming (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA (CHEBI:74402) is conjugate acid of (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4−) (CHEBI:74254)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(17Z,20Z,23Z,26Z,29Z)-3-oxodotriaconta-17,20,23,26,29-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(17Z,20Z,23Z,26Z,29Z)-3-ketodotriacontapentaenoyl-CoA(4−) ChEBI
(17Z,20Z,23Z,26Z,29Z)-3-ketodotriacontapentaenoyl-coenzyme A(4−) ChEBI
(17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-coenzyme A(4−) ChEBI
17cis,20cis,23cis,26cis,29cis-3-oxodotriacontapentaenoyl-CoA(4−) SUBMITTER
17cis,20cis,23cis,26cis,29cis-3-oxodotriacontapentaenoyl-coenzyme A(4−) ChEBI
3-keto-(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA(4−) SUBMITTER
3-oxo-(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA UniProt
3-oxo-(17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA(4−) SUBMITTER
3-oxo-(17Z,20Z,23Z,26Z,29Z)-dotriacontapentanoyl-coenzyme A(4−) SUBMITTER
3-oxo-C32:5(ω-3)-CoA(4−) ChEBI
Last Modified
04 April 2019