P. aeruginosa Metabolome Database: (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate (PAMDB006319)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information

Version

1.0

Update Date

1/22/2018 11:54:54 AM

Metabolite ID

PAMDB006319

Identification

Name:

(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate

Description:

(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate is a member of the chemical class known as Indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate is involved in tryptophan biosynthesis. The latter is the competent substrate of (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate synthase, which catalyzes the subsequent step of tryptophan biosynthesis. (PMID 7727401) alphaTS by itself catalyzes the cleavage of indole-3-glycerol phosphate to glyceraldehyde-3-phosphate and indole, which is converted to tryptophan in tryptophan biosynthesis. (PMID 15879705)

Structure

Synonyms:

(1S,2R)-1-C-(indol-3-yl)Glycerol 3-phosphoric acid

Chemical Formula:

C₁₁H₁₂NO₆P

Average Molecular Weight:

285.193

Monoisotopic Molecular Weight:

285.041321268

InChI Key:

NQEQTYPJSIEPHW-UHFFFAOYSA-L

InChI:

InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/p-2

CAS number:

Not Available

IUPAC Name:

Not Available

Traditional IUPAC Name:

Not Available

SMILES:

OC(COP([O-])([O-])=O)C(O)C1=CNC2=C1C=CC=C2

Chemical Taxonomy

Taxonomy Description

Not Available

Kingdom

Not Available

Super Class

Not Available

Class

Not Available

Sub Class

Not Available

Direct Parent

Not Available

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Not Available

External Descriptors

Not Available

Physical Properties

State:

Not Available

Charge:

Not Available

Melting point:

Not Available

Experimental Properties:

Property	Value	Source

Predicted Properties

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

1-(o-carboxyphenylamino)-1'-deoxyribulose 5'-phosphate + Hydrogen ion + 1-(o-carboxyphenylamino)-1'-deoxyribulose 5'-phosphate > Water + Carbon dioxide + (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate + (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate
(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate + (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate > D-Glyceraldehyde 3-phosphate + Indole + D-Glyceraldehyde 3-phosphate
1-(2-Carboxyphenylamino)-1'-deoxyribulose-5'-phosphate + Hydrogen ion > Carbon dioxide + Water + (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate + (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate

SMPDB Pathways:

Tryptophan metabolism	PW000815
tryptophan metabolism II	PW001916

Biological Properties

Cellular Locations:

Cytoplasm

Reactions:

Pathways:

Tryptophan metabolism pae00380

Spectra

Spectra:

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0090000000-d6edd9533591edccc5fe	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001r-0190000000-33fd31bb35f5c119d546	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-01qa-6910000000-1c2758a367c37aff8144	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0090000000-29f156f93694c4e1ed43	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-2190000000-dc2560f39d55366ecadb	View in MoNA
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-003s-9100000000-03955eeb8f28e1b25ab3	View in MoNA

References

References:

Not Available

Synthesis Reference:

Not Available

Material Safety Data Sheet (MSDS)

Not Available

Links

External Links:

Resource	Link