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CHEBI:76500 - triacontanoyl-CoA

Default Structure
ChEBI IDCHEBI:76500
ChEBI Nametriacontanoyl-CoA
Stars
DefinitionAn ultra-long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of triacontanoic acid (melissic acid).
Last Modified7 June 2024
SubmitterSteve
DownloadsMolfile
FormulaC51H94N7O17P3S
Net Charge0
Average Mass1202.334
Monoisotopic Mass1201.56398
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C51H94N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-42(60)79-35-34-53-41(59)32-33-54-49(63)46(62)51(2,3)37-72-78(69,70)75-77(67,68)71-36-40-45(74-76(64,65)66)44(61)50(73-40)58-39-57-43-47(52)55-38-56-48(43)58/h38-40,44-46,50,61-62H,4-37H2,1-3H3,(H,53,59)(H,54,63)(H,67,68)(H,69,70)(H2,52,55,56)(H2,64,65,66)/t40-,44-,45-,46+,50-/m1/s1
InChIKeyQKSUSCCLLRTYKE-XFQHPCEUSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
triacontanoyl-CoA (CHEBI:76500) is a saturated fatty acyl-CoA (CHEBI:231546)
triacontanoyl-CoA (CHEBI:76500) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
triacontanoyl-CoA (CHEBI:76500) is conjugate acid of triacontanoyl-CoA(4−) (CHEBI:76386)
Incoming Relation(s)
triacontanoyl-CoA(4−) (CHEBI:76386) is conjugate base of triacontanoyl-CoA (CHEBI:76500)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(triacontanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)
Synonyms  Source
melissoyl-CoAChEBI
melissoyl-coenzyme AChEBI
triacontanoyl-coenzyme AChEBI