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Home Other Building Blocks Bromelain, juice

Bromelain, juice

CAS No.:
9001-00-7
Catalog Number:
AG01CCA4
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01CCA4
Chemical Name:
Bromelain, juice
CAS Number:
9001-00-7
IUPAC Name:
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-5-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI:
InChI=1S/C39H66N2O29/c1-9-19(48)24(53)29(58)38(62-9)69-32-18(41-11(3)46)34(59)63-15(6-44)31(32)68-35-17(40-10(2)45)23(52)30(14(5-43)65-35)67-39-33(70-37-27(56)20(49)12(47)7-60-37)26(55)22(51)16(66-39)8-61-36-28(57)25(54)21(50)13(4-42)64-36/h9,12-39,42-44,47-59H,4-8H2,1-3H3,(H,40,45)(H,41,46)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28-,29-,30+,31+,32+,33-,34?,35-,36-,37-,38-,39-/m0/s1
InChI Key:
UNMLVGNWZDHBRA-UFAVQCRNSA-N
EC Number:
232-572-4
Properties
Complexity:
1680  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
28  
Defined Bond Stereocenter Count:
0
Exact Mass:
1026.375g/mol
Formal Charge:
0
Heavy Atom Count:
70  
Hydrogen Bond Acceptor Count:
29  
Hydrogen Bond Donor Count:
18  
Isotope Atom Count:
0
Molecular Weight:
1026.942g/mol
Monoisotopic Mass:
1026.375g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
483A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-11.6  
Literature
Title Journal
Minor interference of cross-reactive carbohydrates with the diagnosis of respiratory allergy in standard clinical conditions. International archives of allergy and immunology 20120101
Impact of cross-reactive carbohydrate determinants on wood dust sensitization. Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology 20100701
Carbohydrate epitopes as a cause of cross-reactivity in patients allergic to Hymenoptera venom. Wiener klinische Wochenschrift 20090101
Molecular and immunological characterization of the glycosylated orange allergen Cit s 1. Glycobiology 20070201
Biological activity of IgE specific for cross-reactive carbohydrate determinants. The Journal of allergy and clinical immunology 20030401
Involvement of carbohydrate epitopes in the IgE response of celery-allergic patients. International archives of allergy and immunology 19990901
Core alpha1,3-fucose is a key part of the epitope recognized by antibodies reacting against plant N-linked oligosaccharides and is present in a wide variety of plant extracts. Glycobiology 19980701
Properties