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CHEBI:74355 - 3-oxotriacontanoyl-CoA

ChEBI IDCHEBI:74355
ChEBI Name3-oxotriacontanoyl-CoA
Stars
DefinitionA 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxotriacontanoic acid (3-oxomelissic acid).
Last Modified6 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC51H92N7O18P3S
Net Charge0
Average Mass1216.317
Monoisotopic Mass1215.54324
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)/t40-,44-,45-,46+,50-/m1/s1
InChIKeyZNUFFDLELVUGGI-XFQHPCEUSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-oxotriacontanoyl-CoA (CHEBI:74355) has functional parent triacontanoic acid (CHEBI:31003)
3-oxotriacontanoyl-CoA (CHEBI:74355) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxotriacontanoyl-CoA (CHEBI:74355) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
3-oxotriacontanoyl-CoA (CHEBI:74355) is conjugate acid of 3-oxotriacontanoyl-CoA(4−) (CHEBI:74228)
Incoming Relation(s)
3-oxotriacontanoyl-CoA(4−) (CHEBI:74228) is conjugate base of 3-oxotriacontanoyl-CoA (CHEBI:74355)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxotriacontanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate}
Synonyms  Source
3-oxomelissoyl-CoAChEBI
3-oxotriacontanoyl-coenzyme AChEBI
3-ketomelissoyl-coenzyme AChEBI
3-ketomelissoyl-CoAChEBI
3-ketotriacontanoyl-coenzyme AChEBI
3-oxomelissoyl-coenzyme AChEBI