CHEBI:63914 - 3-hydroxypristanoyl-CoA

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ChEBI Name 3-hydroxypristanoyl-CoA
ChEBI ID CHEBI:63914
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H72N7O18P3S
Net Charge 0
Average Mass 1064.02200
Monoisotopic Mass 1063.38674
InChI InChI=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
InChIKey OQWHTSXXBMVROE-VDRJVRINSA-N
SMILES CC(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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3-hydroxy-2,6,10,14-tetramethylpentadecanoyl-CoA ChEBI
3-hydroxy-2,6,10,14-tetramethylpentadecanoyl-coenzyme A ChEBI
3-hydroxypristanoyl-coenzyme A ChEBI
Last Modified
31 March 2015