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CHEBI:65051 - 3-hydroxytetracosanoyl-CoA(4−)

ChEBI IDCHEBI:65051
ChEBI Name3-hydroxytetracosanoyl-CoA(4−)
Stars
ASCII Name3-hydroxytetracosanoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxytetracosanoyl-CoA; the major species at pH 7.3.
Last Modified3 September 2015
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC45H78N7O18P3S
Net Charge-4
Average Mass1130.139
Monoisotopic Mass1129.43588
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)CC(=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/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t33?,34-,38-,39-,40+,44-/m1/s1
InChIKeyQIBKBVRVOFIKLN-SBPVGHMXSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051) is conjugate base of 3-hydroxytetracosanoyl-CoA (CHEBI:52326)
Incoming Relation(s)
(3S)-3-hydroxytetracosanoyl-CoA (CHEBI:87779) is a 3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051)
(3S)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:87563) is a 3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051)
3-hydroxytetracosanoyl-CoA (CHEBI:52326) is conjugate acid of 3-hydroxytetracosanoyl-CoA(4−) (CHEBI:65051)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
3-hydroxytetracosanoyl-CoA (4-)ChEBI
3-hydroxy-C24-CoA(4−)ChEBI
3-hydroxytetracosanoyl-coenzyme A(4−)ChEBI