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 ZINC000096014974
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 Waiting for Citations
Last Modified
04 August 2014
General Comment
2011-05-17 A key metabolite in the biosynthetic pathway of E. coli.