CHEBI:15504 - pimeloyl-CoA

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ChEBI Name pimeloyl-CoA
ChEBI ID CHEBI:15504
Definition An ω carboxyacyl-CoA that is the S-pimeloyl derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2176, CHEBI:12210, CHEBI:14838, CHEBI:26131
Supplier Information ChemicalBook:CB5763603, eMolecules:25689727, Selleckchem:Ergosterol, ZINC000004084618
Download Molfile XML SDF
Formula C28H46N7O19P3S
Net Charge 0
Average Mass 909.68790
Monoisotopic Mass 909.17820
InChI InChI=1S/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33-25(20)35/h14-16,21-23,27,40-41H,3-13H2,1-2H3,(H,30,36)(H,31,42)(H,37,38)(H,46,47)(H,48,49)(H2,29,32,33)(H2,43,44,45)/t16-,21-,22-,23+,27-/m1/s1
InChIKey LYCRXMTYUZDUGA-UYRKPTJQSA-N
SMILES CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCC(O)=O
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pimeloyl-CoA (CHEBI:15504) has functional parent coenzyme A (CHEBI:15346)
pimeloyl-CoA (CHEBI:15504) has functional parent pimelic acid (CHEBI:30531)
pimeloyl-CoA (CHEBI:15504) has role metabolite (CHEBI:25212)
pimeloyl-CoA (CHEBI:15504) is a ω-carboxyacyl-CoA (CHEBI:37555)
pimeloyl-CoA (CHEBI:15504) is conjugate acid of pimeloyl-CoA(5−) (CHEBI:57360)
Incoming 2,3-didehydropimeloyl-CoA (CHEBI:15503) has functional parent pimeloyl-CoA (CHEBI:15504)
3-hydroxypimeloyl-CoA (CHEBI:15485) has functional parent pimeloyl-CoA (CHEBI:15504)
3-oxopimeloyl-CoA (CHEBI:15492) has functional parent pimeloyl-CoA (CHEBI:15504)
pimeloyl-CoA(5−) (CHEBI:57360) is conjugate base of pimeloyl-CoA (CHEBI:15504)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
6-Carboxyhexanoyl-CoA KEGG COMPOUND
Coenzyme A, S-(hydrogen heptanedioate) ChemIDplus
Pimeloyl-CoA KEGG COMPOUND
Pimeloyl-coa ChemIDplus
Pimeloyl-coenzyme A ChemIDplus
Pimelyl-CoA UM-BBD
Manual Xrefs Databases
C00019680 KNApSAcK
C01063 KEGG COMPOUND
c0218 UM-BBD
View more database links
Registry Numbers Types Sources
11263685 Reaxys Registry Number Reaxys
18907-20-5 CAS Registry Number ChemIDplus
Citations Types Sources
11320134 PubMed citation Europe PMC
11322938 PubMed citation Europe PMC
11904168 PubMed citation Europe PMC
1445232 PubMed citation Europe PMC
18396082 PubMed citation Europe PMC
7383976 PubMed citation Europe PMC
8125118 PubMed citation Europe PMC
Last Modified
04 August 2014
General Comment
2011-05-17 A key metabolite in the biosynthetic pathway of E. coli.