EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74286 - (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4−)

ChEBI IDCHEBI:74286
ChEBI Name(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4−)
Stars
ASCII Name(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA.
Last Modified4 April 2019
Submitterlaimo
DownloadsMolfile
FormulaC51H80N7O18P3S
Net Charge-4
Average Mass1204.221
Monoisotopic Mass1203.45153
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C51H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(59)34-42(61)80-33-32-53-41(60)30-31-54-49(64)46(63)51(2,3)36-73-79(70,71)76-78(68,69)72-35-40-45(75-77(65,66)67)44(62)50(74-40)58-38-57-43-47(52)55-37-56-48(43)58/h8-9,11-12,14-15,17-18,37-38,40,44-46,50,62-63H,4-7,10,13,16,19-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/p-4/b9-8-,12-11-,15-14-,18-17-/t40-,44-,45-,46+,50-/m1/s1
InChIKeyZXWSUHYGFMIIBP-TUGBWWEVSA-J
ChEBI Ontology
Outgoing Relation(s)
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4−) (CHEBI:74286) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4−) (CHEBI:74286) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4−) (CHEBI:74286) is a ultra-long-chain 3-oxoacyl-CoA(4−) (CHEBI:143516)
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4−) (CHEBI:74286) is conjugate base of (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA (CHEBI:74496)
Incoming Relation(s)
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA (CHEBI:74496) is conjugate acid of (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4−) (CHEBI:74286)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(15Z,18Z,21Z,24Z)-3-oxotriaconta-15,18,21,24-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate}
Synonyms  Source
3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA(4−)SUBMITTER
3-keto-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA(4−)SUBMITTER
3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-coenzyme A(4−)SUBMITTER
3-oxo-(all cis)-(ω-6)-triacontatetraenoyl-CoA(4−)SUBMITTER
(15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-coenzyme A(4−)ChEBI
(15Z,18Z,21Z,24Z)-3-ketotriacontatetraenoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-oxo-(15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoAUniProt