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CHEBI:59458 - N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−)

ChEBI IDCHEBI:59458
ChEBI NameN-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−)
Stars
ASCII NameN-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-)
DefinitionTrianion of N-[(R)-4-phosphopantothenoyl]-L-cysteine arising from deprotonation of carboxylic acid and phosphate functions.
Secondary ChEBI IDCHEBI:57507
Last Modified3 February 2016
Submitterrafalcan
DownloadsMolfile
FormulaC12H20N2O9PS
Net Charge-3
Average Mass399.338
Monoisotopic Mass399.06436
SMILESCC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-]
InChIInChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/p-3/t7-,9-/m0/s1
InChIKeyXQYALQVLCNHCFT-CBAPKCEASA-K
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:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) has role human metabolite (CHEBI:77746)
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) is a organophosphonate oxoanion (CHEBI:59635)
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458) is conjugate base of N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769)
Incoming Relation(s)
N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) is conjugate acid of N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3−) (CHEBI:59458)
IUPAC Names 
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate trianion
N-{N-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl]-β-alanyl}-L-cysteinate
UniProt Name  Source
N-[(R)-4-phosphopantothenoyl]-L-cysteineUniProt