Chorismic acid
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Chorismic acid
structure -
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CAS No:
617-12-9
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Formula:
C10H10O6
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Chemical Name:
Chorismic acid
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Synonyms:
1,5-Cyclohexadiene-1-carboxylic acid,3-[(1-carboxyethenyl)oxy]-4-hydroxy-,(3R,4R)-;1,5-Cyclohexadiene-1-carboxylic acid,3-[(1-carboxyvinyl)oxy]-4-hydroxy-,(3R-trans)-;1,5-Cyclohexadiene-1-carboxylic acid,3-[(1-carboxyethenyl)oxy]-4-hydroxy-,(3R-trans)-;(3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid;(3R-trans)-3-(1-Carboxyvinyloxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid;Chorismic acid;(-)-Chorismic acid
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CAS No:
Description
ChEBI: The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid.
Solid
Chorismic acid is the (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a plant metabolite. It is a conjugate acid of a chorismate(2-).|A cyclohexadiene carboxylic acid derived from SHIKIMIC ACID and a precursor for the biosynthesis of UBIQUINONE and the AROMATIC AMINO ACIDS.
Characteristics
104.06000
0.2
Solid
1.49g/cm3
116-119 °C (decomp)
556.1ºC at 760 mmHg
225.7ºC
1.603
-70ºC
Safety Information
NONH for all modes of transport
3
45-20/21/22-36/37/38-63
53-23-36/37/39-45
T
P201-P261-P280-P305 + P351 + P338-P308 + P313
H302-H312-H315-H319-H332-H335-H350-H361
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Computed Properties
Molecular Weight:226.18
XLogP3:0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:226.04773803
Monoisotopic Mass:226.04773803
Topological Polar Surface Area:104
Heavy Atom Count:16
Complexity:392
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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