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CHEBI:58480 - N-[(R)-pantothenoyl]-L-cysteinate

ChEBI IDCHEBI:58480
ChEBI NameN-[(R)-pantothenoyl]-L-cysteinate
Stars
ASCII NameN-[(R)-pantothenoyl]-L-cysteinate
DefinitionConjugate base of N-[(R)-pantothenoyl]-L-cysteine.
Last Modified13 November 2017
DownloadsMolfile
FormulaC12H21N2O6S
Net Charge-1
Average Mass321.375
Monoisotopic Mass321.11258
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-]
InChIInChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/p-1/t7-,9-/m0/s1
InChIKeyQSYCTARXWYLMOF-CBAPKCEASA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480) has role human metabolite (CHEBI:77746)
N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480) is a monocarboxylic acid anion (CHEBI:35757)
N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480) is conjugate base of N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416)
Incoming Relation(s)
N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) is conjugate acid of N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480)
IUPAC Name 
N-{N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-β-alanyl}-L-cysteinate
UniProt Name  Source
N-[(R)-pantothenoyl]-L-cysteineUniProt
Registry NumbersSources
Beilstein:6584591Beilstein