Phosphoenolpyruvic acid
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Phosphoenolpyruvic acid
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CAS No:
138-08-9
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Formula:
C3H5O6P
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Chemical Name:
Phosphoenolpyruvic acid
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Synonyms:
2-Propenoic acid,2-(phosphonooxy)-;Acrylic acid,2-hydroxy-,dihydrogen phosphate;2-(Phosphonooxy)-2-propenoic acid;Phosphoenolpyruvic acid;PEP (phosphate);PEP;53230-12-9;80206-33-3;101015-20-7;1309961-12-3
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CAS No:
Description
Solid
Solid
Phosphoenolpyruvic acid is a monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis. It has a role as a fundamental metabolite. It is a monocarboxylic acid and a carboxyalkyl phosphate. It derives from an acrylic acid. It is a conjugate acid of a phosphonatoenolpyruvate and a phosphoenolpyruvate.|A monocarboxylic acid anion derived from selective deprotonation of the carboxy group of phosphoenolpyruvic acid. It is a metabolic intermediate in GLYCOLYSIS; GLUCONEOGENESIS; and other pathways.
Phosphoenolpyruvic acid Basic Attributes
168.04200
168.04
205-312-2
545YL308OW
DTXSID00223277
2931900090
Characteristics
113.87000
-1.1
Solid
1.804g/cm3
466.7ºC at 760mmHg
236.1ºC
1.53
131 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine]|138 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|138.4 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Computed Properties
Molecular Weight:168.04
XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:167.98237487
Monoisotopic Mass:167.98237487
Topological Polar Surface Area:104
Heavy Atom Count:10
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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