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CHEBI:57360 - pimeloyl-CoA(5−)

ChEBI IDCHEBI:57360
ChEBI Namepimeloyl-CoA(5−)
Stars
ASCII Namepimeloyl-CoA(5-)
DefinitionAn acyl-CoA oxoanion that is the pentaanion of pimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Last Modified15 January 2020
DownloadsMolfile
FormulaC28H41N7O19P3S
Net Charge-5
Average Mass904.655
Monoisotopic Mass904.14182
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)[O-]
InChIInChI=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
InChIKeyLYCRXMTYUZDUGA-UYRKPTJQSA-I
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
pimeloyl-CoA pentaanionChEBI
pimeloyl-coenzyme A(5−)ChEBI
pimelyl-CoA(5−)ChEBI
S-(7-hydroxy-7-oxoheptanoyl)-CoA(5−)ChEBI
UniProt Name  Source
6-carboxyhexanoyl-CoAUniProt