CHEBI:74290 - (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4−)
ChEBI ID CHEBI:74290
ChEBI ASCII Name (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C55H88N7O18P3S
Net Charge -4
Average Mass 1260.31000
Monoisotopic Mass 1259.51414
InChI InChI=1S/C55H92N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-43(63)38-46(65)84-37-36-57-45(64)34-35-58-53(68)50(67)55(2,3)40-77-83(74,75)80-82(72,73)76-39-44-49(79-81(69,70)71)48(66)54(78-44)62-42-61-47-51(56)59-41-60-52(47)62/h8-9,11-12,14-15,17-18,41-42,44,48-50,54,66-67H,4-7,10,13,16,19-40H2,1-3H3,(H,57,64)(H,58,68)(H,72,73)(H,74,75)(H2,56,59,60)(H2,69,70,71)/p-4/b9-8-,12-11-,15-14-,18-17-/t44-,48-,49-,50+,54-/m1/s1
InChIKey KAXXEGHBFGJKMS-HCKQOBBTSA-J
SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=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 (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4−) (CHEBI:74290) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4−) (CHEBI:74290) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4−) (CHEBI:74290) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4−) (CHEBI:74290) is conjugate base of (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA (CHEBI:74515)
Incoming (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA (CHEBI:74515) is conjugate acid of (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4−) (CHEBI:74290)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(19Z,22Z,25Z,28Z)-3-oxotetratriaconta-19,22,25,28-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms Sources
(19Z,22Z,25Z,28Z)-3-ketotetratriacontatetraenoyl-CoA(4−) ChEBI
(19Z,22Z,25Z,28Z)-3-ketotetratriacontatetraenoyl-coenzyme A(4−) ChEBI
(19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-coenzyme A(4−) ChEBI
3-keto-(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−) SUBMITTER
3-oxo-(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA UniProt
3-oxo-(19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4−) SUBMITTER
3-oxo-all-cis-(ω-6)-tetratriacontatetranoyl-CoA(4−) SUBMITTER
3-oxo-C34:4(ω-6)-CoA(4−) ChEBI
Last Modified
04 April 2019