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
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 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
13 March 2017