EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:74228 - 3-oxotriacontanoyl-CoA(4−)

ChEBI IDCHEBI:74228
ChEBI Name3-oxotriacontanoyl-CoA(4−)
Stars
ASCII Name3-oxotriacontanoyl-CoA(4-)
DefinitionA 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-oxotriacontanoyl-CoA (3-oxomelissoyl-CoA).
Last Modified6 February 2019
Submitterlaimo
DownloadsMolfile
FormulaC51H88N7O18P3S
Net Charge-4
Average Mass1212.285
Monoisotopic Mass1211.51413
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C51H92N7O18P3S/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/h37-38,40,44-46,50,62-63H,4-36H2,1-3H3,(H,53,60)(H,54,64)(H,68,69)(H,70,71)(H2,52,55,56)(H2,65,66,67)/p-4/t40-,44-,45-,46+,50-/m1/s1
InChIKeyZNUFFDLELVUGGI-XFQHPCEUSA-J
ChEBI Ontology
Outgoing Relation(s)
3-oxotriacontanoyl-CoA(4−) (CHEBI:74228) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-oxotriacontanoyl-CoA(4−) (CHEBI:74228) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
3-oxotriacontanoyl-CoA(4−) (CHEBI:74228) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
3-oxotriacontanoyl-CoA(4−) (CHEBI:74228) is conjugate base of 3-oxotriacontanoyl-CoA (CHEBI:74355)
Incoming Relation(s)
3-oxotriacontanoyl-CoA (CHEBI:74355) is conjugate acid of 3-oxotriacontanoyl-CoA(4−) (CHEBI:74228)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxotriacontanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate}
Synonyms  Source
3-oxomelissoyl-CoA(4−)SUBMITTER
3-ketomelissoyl-CoA(4−)SUBMITTER
3-oxo-C30:0-CoA(4−)SUBMITTER
3-oxotriacontanoyl-coenzyme A(4−)ChEBI
3-ketomelissoyl-coenzyme A(4−)ChEBI
3-ketotriacontanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-oxo-triacontanoyl-CoAUniProt