CHEBI:74289 - (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−)

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ChEBI Name (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−)
ChEBI ID CHEBI:74289
ChEBI ASCII Name (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4-)
Definition A polyunsaturated fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C53H86N7O17P3S
Net Charge -4
Average Mass 1218.27300
Monoisotopic Mass 1217.50357
InChI InChI=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)/p-4/b9-8-,12-11-,15-14-,18-17-/t42-,46-,47-,48+,52-/m1/s1
InChIKey AZSLDHILIKNKKU-CCCQGKLYSA-J
SMILES CCCCC\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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−) (CHEBI:74289) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−) (CHEBI:74289) is a polyunsaturated fatty acyl-CoA(4−) (CHEBI:77330)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−) (CHEBI:74289) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−) (CHEBI:74289) is conjugate base of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA (CHEBI:74512)
Incoming (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA (CHEBI:74512) is conjugate acid of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4−) (CHEBI:74289)
IUPAC Name
3'-phosphonatoadenosine 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] diphosphate}
Synonyms Sources
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA UniProt
(17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-coenzyme A(4−) SUBMITTER
all-cis-(ω-6)-dotriacontatetraenoyl-CoA(4−) SUBMITTER
C32:4(ω-6)-CoA(4−) SUBMITTER
Last Modified
13 March 2017