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CHEBI:71455 - 3-hydroxyicosanoyl-CoA(4−)

ChEBI IDCHEBI:71455
ChEBI Name3-hydroxyicosanoyl-CoA(4−)
Stars
ASCII Name3-hydroxyicosanoyl-CoA(4-)
DefinitionA 3-hydroxy fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 3-hydroxyicosanoyl-CoA.
Last Modified6 March 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC41H70N7O18P3S
Net Charge-4
Average Mass1074.031
Monoisotopic Mass1073.37328
SMILESCCCCCCCCCCCCCCCCCC(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/C41H74N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h27-30,34-36,40,49,52-53H,4-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/p-4/t29?,30-,34-,35-,36+,40-/m1/s1
InChIKeyKNSVYMFEJLUJST-MJMSVFGZSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455) is conjugate base of 3-hydroxyicosanoyl-CoA (CHEBI:52324)
Incoming Relation(s)
(R)-3-hydroxyicosanoyl-CoA(4−) (CHEBI:76373) is a 3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455)
(3S)-3-hydroxyicosanoyl-CoA(4−) (CHEBI:87562) is a 3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455)
3-hydroxyicosanoyl-CoA (CHEBI:52324) is conjugate acid of 3-hydroxyicosanoyl-CoA(4−) (CHEBI:71455)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxyicosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
3-hydroxyicosanoyl-coenzyme A(4−)ChEBI
3-hydroxyeicosanoyl-CoA(4−)ChEBI
3-hydroxyeicosanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-hydroxyicosanoyl-CoAUniProt