CHEBI:64868 - hexacosanoyl-CoA(4−)

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ChEBI Name hexacosanoyl-CoA(4−)
ChEBI ID CHEBI:64868
ChEBI ASCII Name hexacosanoyl-CoA(4-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C47H82N7O17P3S
Net Charge -4
Average Mass 1142.17700
Monoisotopic Mass 1141.47227
InChI InChI=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
InChIKey FHLYYFPJDVYWQH-CPIGOPAHSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 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 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 Sources
26:0 CoA(4−) ChEBI
C26:0-CoA(4−) ChEBI
C26:0-coenzyme A(4−) ChEBI
cerotoyl-CoA(4−) ChEBI
cerotoyl-coenzyme A(4−) ChEBI
hexacosanoyl-CoA UniProt
hexacosanoyl-coenzyme A(4−) ChEBI
Last Modified
27 July 2021