CHEBI:74294 - (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4−)

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ChEBI Name (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4−)
ChEBI ID CHEBI:74294
ChEBI ASCII Name (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C59H96N7O18P3S
Net Charge -4
Average Mass 1316.41600
Monoisotopic Mass 1315.57674
InChI InChI=1S/C59H100N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-47(67)42-50(69)88-41-40-61-49(68)38-39-62-57(72)54(71)59(2,3)44-81-87(78,79)84-86(76,77)80-43-48-53(83-85(73,74)75)52(70)58(82-48)66-46-65-51-55(60)63-45-64-56(51)66/h8-9,11-12,14-15,17-18,45-46,48,52-54,58,70-71H,4-7,10,13,16,19-44H2,1-3H3,(H,61,68)(H,62,72)(H,76,77)(H,78,79)(H2,60,63,64)(H2,73,74,75)/p-4/b9-8-,12-11-,15-14-,18-17-/t48-,52-,53-,54+,58-/m1/s1
InChIKey AHHDQEJMPXMIQP-WMVBGHTASA-J
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=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 (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4−) (CHEBI:74294) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4−) (CHEBI:74294) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4−) (CHEBI:74294) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4−) (CHEBI:74294) is conjugate base of (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA (CHEBI:74572)
Incoming (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA (CHEBI:74572) is conjugate acid of (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4−) (CHEBI:74294)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(23Z,26Z,29Z,32Z)-3-oxooctatriaconta-23,26,29,32-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(23Z,26Z,29Z,32Z)-3-ketooctatriacontatetraenoyl-CoA(4−) ChEBI
(23Z,26Z,29Z,32Z)-3-ketooctatriacontatetraenoyl-coenzyme A(4−) ChEBI
(23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-coenzyme A(4−) ChEBI
3-keto-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA(4−) SUBMITTER
3-oxo-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA UniProt
3-oxo-(23Z,26Z,29Z,32Z)-octatriacontatetraenoyl-CoA(4−) SUBMITTER
3-oxo-all-cis-(ω-6)-octatriacontatetraenoyl-CoA(4−) SUBMITTER
3-oxo-C38:4(ω-6)-CoA(4−) ChEBI
Last Modified
04 April 2019