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CHEBI:57384 - malonyl-CoA(5−)

ChEBI IDCHEBI:57384
ChEBI Namemalonyl-CoA(5−)
Stars
ASCII Namemalonyl-CoA(5-)
DefinitionPentaanion of malonyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Last Modified21 January 2016
DownloadsMolfile
FormulaC24H33N7O19P3S
Net Charge-5
Average Mass848.547
Monoisotopic Mass848.07922
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)CC(=O)[O-]
InChIInChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/p-5/t12-,17-,18-,19+,23-/m1/s1
InChIKeyLTYOQGRJFJAKNA-DVVLENMVSA-I
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
malonyl-CoA(5−) (CHEBI:57384) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
malonyl-CoA(5−) (CHEBI:57384) has role human metabolite (CHEBI:77746)
malonyl-CoA(5−) (CHEBI:57384) is a acyl-CoA oxoanion (CHEBI:58946)
malonyl-CoA(5−) (CHEBI:57384) is conjugate base of malonyl-CoA (CHEBI:15531)
Incoming Relation(s)
malonyl-CoA (CHEBI:15531) is conjugate acid of malonyl-CoA(5−) (CHEBI:57384)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxylatoacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
UniProt Name  Source
malonyl-CoAUniProt