CHEBI:57360 - pimeloyl-CoA(5−)

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ChEBI Name pimeloyl-CoA(5−)
ChEBI ID CHEBI:57360
ChEBI ASCII Name pimeloyl-CoA(5-)
Definition An acyl-CoA oxoanion that is the pentaanion of pimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H41N7O19P3S
Net Charge -5
Average Mass 904.64700
Monoisotopic Mass 904.14182
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)/p-5/t16-,21-,22-,23+,27-/m1/s1
InChIKey LYCRXMTYUZDUGA-UYRKPTJQSA-I
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
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pimeloyl-CoA(5−) (CHEBI:57360) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
pimeloyl-CoA(5−) (CHEBI:57360) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898)
pimeloyl-CoA(5−) (CHEBI:57360) is a ω-carboxyacyl-CoA(5−) (CHEBI:133241)
pimeloyl-CoA(5−) (CHEBI:57360) is conjugate base of pimeloyl-CoA (CHEBI:15504)
Incoming pimeloyl-CoA (CHEBI:15504) is conjugate acid of pimeloyl-CoA(5−) (CHEBI:57360)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxylatohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
6-carboxyhexanoyl-CoA UniProt
pimeloyl-CoA pentaanion ChEBI
pimeloyl-coenzyme A(5−) ChEBI
pimelyl-CoA(5−) ChEBI
S-(7-hydroxy-7-oxoheptanoyl)-CoA(5−) ChEBI
Last Modified
15 January 2020