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CHEBI:15371 - 3-oxopristanoyl-CoA

ChEBI IDCHEBI:15371
ChEBI Name3-oxopristanoyl-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-oxopristanic acid.
Secondary ChEBI IDsCHEBI:1650, CHEBI:10739, CHEBI:20179
Last Modified31 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H70N7O18P3S
Net Charge0
Average Mass1062.020
Monoisotopic Mass1061.37109
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/C40H70N7O18P3S/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/h22-27,29,32-34,38,50-51H,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?,29-,32-,33-,34+,38-/m1/s1
InChIKeyNQFYRDGBRBDQQG-SVFBWJQPSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
3-oxopristanoyl-CoA (CHEBI:15371) has functional parent 3-oxopristanic acid (CHEBI:63891)
3-oxopristanoyl-CoA (CHEBI:15371) has functional parent pristanoyl-CoA (CHEBI:51341)
3-oxopristanoyl-CoA (CHEBI:15371) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
3-oxopristanoyl-CoA (CHEBI:15371) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
3-oxopristanoyl-CoA (CHEBI:15371) is a long-chain fatty acyl-CoA (CHEBI:33184)
3-oxopristanoyl-CoA (CHEBI:15371) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100)
3-oxopristanoyl-CoA (CHEBI:15371) is conjugate acid of 3-oxopristanoyl-CoA(4−) (CHEBI:57291)
Incoming Relation(s)
3-oxopristanoyl-CoA(4−) (CHEBI:57291) is conjugate base of 3-oxopristanoyl-CoA (CHEBI:15371)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2,6,10,14-tetramethyl-3-oxopentadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Synonyms  Source
3-Oxopristanoyl-CoAKEGG COMPOUND
3-oxopristanoyl-CoAChEBI
3-oxopristanoyl-coenzyme AChEBI
2,6,10,14-3-oxotetramethylpentadecanoyl-coenzyme AChEBI
2,6,10,14-3-oxotetramethylpentadecanoyl-CoAChEBI
3-ketopristanoyl-coenzyme AChEBI
Manual XrefsDatabases
C07297KEGG COMPOUND
C07297KEGG COMPOUND