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SEB Domain (152-161)

CAT: 0804-HY-P1900-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P1900-01Size:1 mg
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CAS Number
210229-94-0
UNSPSC Description
SEB Domain (152-161) is Staphylococcal Enterotoxin B domain amino acid residue 152-161. Staphylococcal enterotoxin B (SEB) is a toxin produced by Staphylococcus aureus. SEB Domain (152-161) is highly conserved and can inhibit transcytosis of multiple staphylococcal enterotoxins, SEA, SEE, and TSST-1[1][2].
Target Antigen
Others
Type
Peptides
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
99.24
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NCCCC[C@H](N)C(N[C@@H](CCCCN)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@H](C(O)=O)CC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
Molecular Weight
1159.33
References & Citations
[1]Rödström KE, et al. Structure of the superantigen staphylococcal enterotoxin B in complex with TCR and peptide-MHC demonstrates absence of TCR-peptide contacts. J Immunol. 2014 Aug 15;193(4):1998-2004.|[2]Shupp JW, et al. Identification of a transcytosis epitope on staphylococcal enterotoxins. Infect Immun. 2002 Apr;70(4):2178-86.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light)
Clinical Information
No Development Reported

Chemical Information

SEB Domain 144-153
CAS Number210229-94-0
PubChem CID155977565
IUPAC Nameacetic acid;(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
Molecular FormulaC52H94N14O19
Molecular Weight1219.4
Topological Polar Surface Area579
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count23
Rotatable Bond Count43
Heavy Atom Count85
Formal Charge0
Complexity2150
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O.CC(=O)O
InChI
InChI=1S/C50H90N14O17.C2H4O2/c1-25(2)23-34(47(77)62-35(50(80)81)24-38(69)70)61-45(75)33(17-19-37(67)68)60-44(74)32(16-18-36(55)66)57-41(71)27(5)56-49(79)40(28(6)65)64-48(78)39(26(3)4)63-46(76)31(15-9-12-22-53)59-43(73)30(14-8-11-21-52)58-42(72)29(54)13-7-10-20-51;1-2(3)4/h25-35,39-40,65H,7-24,51-54H2,1-6H3,(H2,55,66)(H,56,79)(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,75)(H,62,77)(H,63,76)(H,64,78)(H,67,68)(H,69,70)(H,80,81);1H3,(H,3,4)/t27-,28+,29-,30-,31-,32-,33-,34-,35-,39-,40-;/m0./s1
InChIKey
KZCWIHYYZATKDS-JDABFKGFSA-N
Chemical Structure
2D Structure
2D structure of SEB Domain 144-153
CAS: 210229-94-0
CID: 155977565
Formula: C52H94N14O19
MW: 1219.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1219.4
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count23
Rotatable Bond Count43
Exact Mass1218.68196682
Monoisotopic Mass1218.68196682
Topological Polar Surface Area579 Ų
Heavy Atom Count85
Formal Charge0
Complexity2150
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes