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CHEBI:76386 - triacontanoyl-CoA(4−)

ChEBI IDCHEBI:76386
ChEBI Nametriacontanoyl-CoA(4−)
Stars
ASCII Nametriacontanoyl-CoA(4-)
DefinitionA saturated fatty acyl CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of triacontanoyl-CoA (melissoyl-CoA); major species at pH 7.3.
Last Modified6 February 2019
Submitterlaimo
DownloadsMolfile
FormulaC51H90N7O17P3S
Net Charge-4
Average Mass1198.302
Monoisotopic Mass1197.53487
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)/p-4/t40-,44-,45-,46+,50-/m1/s1
InChIKeyQKSUSCCLLRTYKE-XFQHPCEUSA-J
ChEBI Ontology
Outgoing Relation(s)
triacontanoyl-CoA(4−) (CHEBI:76386) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
triacontanoyl-CoA(4−) (CHEBI:76386) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
triacontanoyl-CoA(4−) (CHEBI:76386) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
triacontanoyl-CoA(4−) (CHEBI:76386) is conjugate base of triacontanoyl-CoA (CHEBI:76500)
Incoming Relation(s)
triacontanoyl-CoA (CHEBI:76500) is conjugate acid of triacontanoyl-CoA(4−) (CHEBI:76386)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(triacontanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)
Synonyms  Source
melissoyl-CoA(4−)SUBMITTER
C30:0-CoA(4−)SUBMITTER
triacontanoyl-coenzyme A(4−)ChEBI
melissoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
triacontanoyl-CoAUniProt