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CHEBI:63914 - 3-hydroxypristanoyl-CoA

ChEBI IDCHEBI:63914
ChEBI Name3-hydroxypristanoyl-CoA
Stars
DefinitionA multi-methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxypristanic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC40H72N7O18P3S
Net Charge0
Average Mass1064.036
Monoisotopic Mass1063.38674
SMILESCC(C)CCCC(C)CCCC(C)CCC(O)C(C)C(=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/C40H72N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38(63-29)47-23-46-31-35(41)44-22-45-36(31)47/h22-29,32-34,38,48,50-51H,8-21H2,1-7H3,(H,42,49)(H,43,52)(H,57,58)(H,59,60)(H2,41,44,45)(H2,54,55,56)/t25?,26?,27?,28?,29-,32-,33-,34+,38-/m1/s1
InChIKeyOQWHTSXXBMVROE-VDRJVRINSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxypristanoyl-CoA (CHEBI:63914) has functional parent pristanoyl-CoA (CHEBI:51341)
3-hydroxypristanoyl-CoA (CHEBI:63914) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-hydroxypristanoyl-CoA (CHEBI:63914) is a hydroxy fatty acyl-CoA (CHEBI:61902)
3-hydroxypristanoyl-CoA (CHEBI:63914) is a long-chain fatty acyl-CoA (CHEBI:33184)
3-hydroxypristanoyl-CoA (CHEBI:63914) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
IUPAC Name 
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3-hydroxy-2,6,10,14-tetramethylpentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)
Synonyms  Source
3-hydroxypristanoyl-coenzyme AChEBI
3-hydroxy-2,6,10,14-tetramethylpentadecanoyl-coenzyme AChEBI
3-hydroxy-2,6,10,14-tetramethylpentadecanoyl-CoAChEBI