CHEBI:37002 - perillyl-coenzyme A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name perillyl-coenzyme A
ChEBI ID CHEBI:37002
Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of perillic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:29662, CHEBI:25937
Supplier Information
Download Molfile XML SDF
Formula C31H48N7O17P3S
Net Charge 0
Average Mass 915.73708
Monoisotopic Mass 915.20403
InChI InChI=1S/C31H48N7O17P3S/c1-17(2)18-5-7-19(8-6-18)30(43)59-12-11-33-21(39)9-10-34-28(42)25(41)31(3,4)14-52-58(49,50)55-57(47,48)51-13-20-24(54-56(44,45)46)23(40)29(53-20)38-16-37-22-26(32)35-15-36-27(22)38/h7,15-16,18,20,23-25,29,40-41H,1,5-6,8-14H2,2-4H3,(H,33,39)(H,34,42)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/t18?,20-,23-,24-,25+,29-/m1/s1
InChIKey OXKCUIYSFSJEKA-GIOVMEBGSA-N
SMILES CC(=C)C1CCC(=CC1)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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing perillyl-coenzyme A (CHEBI:37002) has functional parent perillic acid (CHEBI:36999)
perillyl-coenzyme A (CHEBI:37002) has role mouse metabolite (CHEBI:75771)
perillyl-coenzyme A (CHEBI:37002) is a acyl-CoA (CHEBI:17984)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbonyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
Synonyms Sources
Perillyl-CoA KEGG COMPOUND
perillyl-coenzyme A ChEBI
Manual Xrefs Databases
c0677 UM-BBD
C11929 KEGG COMPOUND
View more database links
Last Modified
27 January 2016