CHEBI:15371 - 3-oxopristanoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-oxopristanoyl-CoA
ChEBI ID CHEBI:15371
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-oxopristanic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1650, CHEBI:10739, CHEBI:20179
Supplier Information
Download Molfile XML SDF
Formula C40H70N7O18P3S
Net Charge 0
Average Mass 1062.00746
Monoisotopic Mass 1061.37109
InChI InChI=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
InChIKey NQFYRDGBRBDQQG-SVFBWJQPSA-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-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 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 Sources
2,6,10,14-3-oxotetramethylpentadecanoyl-CoA ChEBI
2,6,10,14-3-oxotetramethylpentadecanoyl-coenzyme A ChEBI
3-ketopristanoyl-CoA ChEBI
3-ketopristanoyl-coenzyme A ChEBI
3-oxopristanoyl-CoA ChEBI
3-Oxopristanoyl-CoA KEGG COMPOUND
3-oxopristanoyl-coenzyme A ChEBI
Manual Xref Database
C07297 KEGG COMPOUND
View more database links
Last Modified
31 March 2015