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CHEBI:47942 - pantetheine 4'-phosphate(2−)

ChEBI IDCHEBI:47942
ChEBI Namepantetheine 4'-phosphate(2−)
Stars
ASCII Namepantetheine 4'-phosphate(2-)
Last Modified25 July 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H21N2O7PS
Net Charge-2
Average Mass356.337
Monoisotopic Mass356.08181
SMILESCC(C)(COP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NCCS
InChIInChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/p-2
InChIKeyJDMUPRLRUUMCTL-UHFFFAOYSA-L
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:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
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)
pantetheine 4'-phosphate(2−) (CHEBI:47942) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
pantetheine 4'-phosphate(2−) (CHEBI:47942) has role cofactor (CHEBI:23357)
pantetheine 4'-phosphate(2−) (CHEBI:47942) has role human metabolite (CHEBI:77746)
pantetheine 4'-phosphate(2−) (CHEBI:47942) is a phosphopantetheine anion (CHEBI:67051)
pantetheine 4'-phosphate(2−) (CHEBI:47942) is conjugate base of pantetheine 4'-phosphate (CHEBI:16858)
Incoming Relation(s)
D-pantetheine 4'-phosphate(2−) (CHEBI:61723) is a pantetheine 4'-phosphate(2−) (CHEBI:47942)
pantetheine 4'-phosphate (CHEBI:16858) is conjugate acid of pantetheine 4'-phosphate(2−) (CHEBI:47942)
pantetheine 4'-phosphate group (CHEBI:47982) is substituent group from pantetheine 4'-phosphate(2−) (CHEBI:47942)
IUPAC Name 
N3-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-N-(2-sulfanylethyl)-β-alaninamide
UniProt Name  Source
pantetheine 4'-phosphateUniProt