1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol (CHEBI:58444)

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ChEBI Name	*1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol*

ChEBI ID	CHEBI:58444

ChEBI ASCII Name	1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol

Definition	An inositol phosphate oxoanion obtained by deprotonation of the free phosphate OH group of 1-(sn-glycero-3-phospho)-1D-myo-inositol; major species at pH 7.3.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Alan Bridge

Secondary ChEBI IDs	CHEBI:64715

Supplier Information

Download	Molfile XML SDF

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Formula

C9H18O11P

Net Charge

-1

Average Mass

333.20640

Monoisotopic Mass

333.05922

InChI

InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/p-1/t3-,4-,5-,6+,7-,8-,9-/m1/s1

InChIKey

BMVUIWJCUQSHLZ-UJGXJMNGSA-M

SMILES

OC[C@@H](O)COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).

ChEBI Ontology
Outgoing	1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol (CHEBI:58444) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) 1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol (CHEBI:58444) is a inositol phosphate oxoanion (CHEBI:76301) 1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol (CHEBI:58444) is conjugate base of 1-(sn-glycero-3-phospho)-1D-myo-inositol (CHEBI:18321)

Incoming	1-(sn-glycero-3-phospho)-1D-myo-inositol (CHEBI:18321) is conjugate acid of 1-(sn-glycero-3-O-phosphonato)-1D-myo-inositol (CHEBI:58444)

IUPAC Names

(2R)-2,3-dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

(2S)-2,3-dihydroxypropyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

1D-myo-inositol 1-[(2R)-2,3-dihydroxypropyl phosphate]

Synonyms	Sources
1-(sn-glycero-3-phospho)-1D-myo-inositol(1−)	ChEBI
GroPIns	SUBMITTER
sn-glycero-3-phospho-1D-myo-inositol	UniProt

Last Modified

21 January 2016