EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64868 - hexacosanoyl-CoA(4−)

ChEBI IDCHEBI:64868
ChEBI Namehexacosanoyl-CoA(4−)
Stars
ASCII Namehexacosanoyl-CoA(4-)
DefinitionA saturated fatty acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of hexacosanoyl-CoA; the major species at pH 7.3.
Last Modified27 July 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC47H82N7O17P3S
Net Charge-4
Average Mass1142.194
Monoisotopic Mass1141.47227
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/t36-,40-,41-,42+,46-/m1/s1
InChIKeyFHLYYFPJDVYWQH-CPIGOPAHSA-J
ChEBI Ontology
Outgoing Relation(s)
hexacosanoyl-CoA(4−) (CHEBI:64868) is a 3-substituted propionyl-CoA(4−) (CHEBI:65111)
hexacosanoyl-CoA(4−) (CHEBI:64868) is a saturated fatty acyl-CoA(4−) (CHEBI:77332)
hexacosanoyl-CoA(4−) (CHEBI:64868) is a very long-chain acyl-CoA(4−) (CHEBI:90736)
hexacosanoyl-CoA(4−) (CHEBI:64868) is a very long-chain fatty acyl-CoA(4−) (CHEBI:138261)
hexacosanoyl-CoA(4−) (CHEBI:64868) is conjugate base of hexacosanoyl-CoA (CHEBI:52966)
Incoming Relation(s)
hexacosanoyl-CoA (CHEBI:52966) is conjugate acid of hexacosanoyl-CoA(4−) (CHEBI:64868)
IUPAC Name 
3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} diphosphate)
Synonyms  Source
cerotoyl-coenzyme A(4−)ChEBI
hexacosanoyl-coenzyme A(4−)ChEBI
C26:0-coenzyme A(4−)ChEBI
26:0 CoA(4−)ChEBI
cerotoyl-CoA(4−)ChEBI
C26:0-CoA(4−)ChEBI
UniProt Name  Source
hexacosanoyl-CoAUniProt