CHEBI:16001 - 3-phospho-D-glyceroyl dihydrogen phosphate

ChEBI IDCHEBI:16001
ChEBI Name3-phospho-D-glyceroyl dihydrogen phosphate
Stars
ASCII Name3-phospho-D-glyceroyl dihydrogen phosphate
DefinitionThe (R)-enantiomer of 3-phosphoglyceroyl dihydrogen phosphate.
Secondary ChEBI IDsCHEBI:1658, CHEBI:11881, CHEBI:20189
Last Modified27 January 2016
DownloadsMolfile
FormulaC3H8O10P2
Net Charge0
Average Mass266.035
Monoisotopic Mass265.95927
SMILESO=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKeyLJQLQCAXBUHEAZ-UWTATZPHSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-phospho-D-glyceroyl dihydrogen phosphate (CHEBI:16001) has functional parent D-glyceric acid (CHEBI:32398)
3-phospho-D-glyceroyl dihydrogen phosphate (CHEBI:16001) has role Escherichia coli metabolite (CHEBI:76971)
3-phospho-D-glyceroyl dihydrogen phosphate (CHEBI:16001) has role mouse metabolite (CHEBI:75771)
3-phospho-D-glyceroyl dihydrogen phosphate (CHEBI:16001) is a 2,3-bisphosphoglyceric acid (CHEBI:28907)
3-phospho-D-glyceroyl dihydrogen phosphate (CHEBI:16001) is a acyl monophosphate (CHEBI:16826)
3-phospho-D-glyceroyl dihydrogen phosphate (CHEBI:16001) is conjugate acid of 3-phosphonato-D-glyceroyl phosphate(4−) (CHEBI:57604)
Incoming Relation(s)
3-phosphonato-D-glyceroyl phosphate(4−) (CHEBI:57604) is conjugate base of 3-phospho-D-glyceroyl dihydrogen phosphate (CHEBI:16001)
IUPAC Name 
(2R)-2-hydroxy-1-oxopropane-1,3-diyl bis(dihydrogen phosphate)
Synonyms  Source
1,3-Bisphospho-D-glycerateKEGG COMPOUND
3-Phospho-D-glyceroyl phosphateKEGG COMPOUND
(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acidKEGG COMPOUND
Manual XrefsDatabases
C00019552KNApSAcK
C00236KEGG COMPOUND
X15PDBeChem
Registry NumbersSources
CAS:38168-82-0KEGG COMPOUND