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CHEBI:64959 - 3-hydroxyhexacosanoyl-CoA(4−)

ChEBI IDCHEBI:64959
ChEBI Name3-hydroxyhexacosanoyl-CoA(4−)
Stars
ASCII Name3-hydroxyhexacosanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyhexacosanoyl-CoA; major species at pH 7.3.
Last Modified31 March 2015
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC47H82N7O18P3S
Net Charge-4
Average Mass1158.193
Monoisotopic Mass1157.46718
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(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/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35?,36-,40-,41-,42+,46-/m1/s1
InChIKeyGBMJOTOUUWGTIA-HSPCTEKSSA-J
ChEBI Ontology
Outgoing Relation(s)
3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is conjugate base of 3-hydroxyhexacosanoyl-CoA (CHEBI:64972)
Incoming Relation(s)
3-hydroxyhexacosanoyl-CoA (CHEBI:64972) is conjugate acid of 3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959)
Synonym  Source
3-hydroxyhexacosanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
3-hydroxyhexacosanoyl-CoAUniProt