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CHEBI:18416 - N-[(R)-pantothenoyl]-L-cysteine

ChEBI IDCHEBI:18416
ChEBI NameN-[(R)-pantothenoyl]-L-cysteine
Stars
ASCII NameN-[(R)-pantothenoyl]-L-cysteine
Secondary ChEBI IDsCHEBI:7081, CHEBI:12439, CHEBI:21462, CHEBI:21463
Last Modified27 January 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H22N2O6S
Net Charge0
Average Mass322.383
Monoisotopic Mass322.11986
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)/t7-,9-/m0/s1
InChIKeyQSYCTARXWYLMOF-CBAPKCEASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) has role mouse metabolite (CHEBI:75771)
N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) is a L-cysteine derivative (CHEBI:83824)
N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416) is conjugate acid of N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480)
Incoming Relation(s)
N-[(R)-4-phosphopantothenoyl]-L-cysteine (CHEBI:15769) has functional parent N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416)
N-[(R)-pantothenoyl]-L-cysteinate (CHEBI:58480) is conjugate base of N-[(R)-pantothenoyl]-L-cysteine (CHEBI:18416)
IUPAC Name 
N-{N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-β-alanyl}-L-cysteine
Synonyms  Source
N-((R)-Pantothenoyl)-L-cysteineKEGG COMPOUND
D-Pantothenoyl-L-cysteineKEGG COMPOUND
Manual XrefsDatabases
C04079KEGG COMPOUND