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63959-45-5

63959-45-5 Structure

63959-45-5 Structure
IdentificationBack Directory
[Name]

SHIKIMATE-3-PHOSPHATE
[CAS]

63959-45-5
[Synonyms]

S-3-P
(3R,4S,5R)-
SHIKIMATE-3-PHOSPHATE
shikimic acid-3-phosphate
ShikiMate-3-phosphate DISCONTINUED. See S357026
Phosphoric acid [(3R)-4β,5α-dihydroxy-1-carboxylato-1-cyclohexene-3β-yl] ester
(-)-Phosphoric acid [(1R)-3-(carboxylato)-5β,6α-dihydroxy-2-cyclohexene-1α-yl] ester
[Molecular Formula]

C7H11O8P
[MDL Number]

MFCD04039676
[MOL File]

63959-45-5.mol
[Molecular Weight]

254.13
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Boiling point ]

585.8±60.0 °C(Predicted)
[density ]

1.84±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, Refrigerator, Under Inert Atmosphere
[solubility ]

Water
[form ]

solid
[pka]

1.85±0.10(Predicted)
[color ]

White
[Stability:]

Very Hygroscopic, Moisture Sensitive, Store under Argon and in Freezer
[Major Application]

clinical testing
[InChI]

1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1
[InChIKey]

QYOJSKGCWNAKGW-PBXRRBTRSA-N
[SMILES]

OC(C1=C[C@@H](OP(O)(O)=O)[C@@H](O)[C@H](O)C1)=O
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

S-3-p is the substrate for 5-Enolpyruvoyl-shikimate 3-phosphate synthase (EPSPS) which is the targetfor the broad-spectrum herbicide N-(phosphonomethyl)glycine(glyphosate)
[Definition]

ChEBI: 3-phosphoshikimic acid is a phosphoshikimic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a shikimic acid. It is a conjugate acid of a 3-phosphonatoshikimate(3-).
[Biological Activity]

Substrate of the pivotal EPSP synthase in the shikimate - chorismic acid pathway of most plants and many microorganisms.
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
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