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Myelin basic protein, MBP (68-86)

CAT: 0931-TP3611-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP3611-01Size:10 mg
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CAS Number
121196-80-3
Target
PKC
Related Pathways
Chromatin/Epigenetic, Cytoskeletal Signaling
Bioactivity
Myelin basic protein, MBP (68-86), represents a segment from the 68th to the 86th amino acid residues in the MBP protein sequence. It can act as a self-antigen, initiating an immune response against the body’s own myelin sheath. Additionally, MBP (68-86) serves as an immunogen in experimental autoimmune encephalomyelitis (EAE) animal models and is utilized in studies concerning the immune responses linked to multiple sclerosis (MS) .
Smiles
C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N1[C@H](C(N[C@@H]([C@@H](C)C)C(O)=O)=O)CCC1)CC(N)=O)=O)CCC(O)=O)=O)CC(O)=O)=O)CCC(N)=O)=O)CO)=O)CCCNC(=N)N)=O)CCC(N)=O)=O)CO)=O)CCCCN)=O)CCC(N)=O)(=O)[C@H]2N(C([C@@H](NC([C@@H](NC(CNC([C@H](CC3=CC=C(O)C=C3)N)=O)=O)CO)=O)CC(C)C)=O)CCC2
Molecular Formula
C81H129N25O30
Molecular Weight
1933.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Myelin basic protein, MBP (68-86)
CAS Number121196-80-3
PubChem CID16138353
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-4-amino-1-[(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC81H129N25O30
Molecular Weight1933.0
XLogP-16.2
Topological Polar Surface Area927
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count33
Rotatable Bond Count64
Heavy Atom Count136
Formal Charge0
Complexity4210
SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C81H129N25O30/c1-38(2)30-50(100-73(128)52(35-107)92-61(115)34-91-65(120)42(83)31-40-14-16-41(110)17-15-40)78(133)105-28-8-12-55(105)76(131)98-47(20-24-59(86)113)69(124)93-43(10-5-6-26-82)66(121)102-53(36-108)74(129)96-45(18-22-57(84)111)68(123)94-44(11-7-27-90-81(88)89)67(122)103-54(37-109)75(130)97-46(19-23-58(85)112)70(125)99-49(33-63(118)119)72(127)95-48(21-25-62(116)117)71(126)101-51(32-60(87)114)79(134)106-29-9-13-56(106)77(132)104-64(39(3)4)80(135)136/h14-17,38-39,42-56,64,107-110H,5-13,18-37,82-83H2,1-4H3,(H2,84,111)(H2,85,112)(H2,86,113)(H2,87,114)(H,91,120)(H,92,115)(H,93,124)(H,94,123)(H,95,127)(H,96,129)(H,97,130)(H,98,131)(H,99,125)(H,100,128)(H,101,126)(H,102,121)(H,103,122)(H,104,132)(H,116,117)(H,118,119)(H,135,136)(H4,88,89,90)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-/m0/s1
InChIKey
BDJPSVMWBXTYMJ-IWAPUTTMSA-N
Chemical Structure
2D Structure
2D structure of Myelin basic protein, MBP (68-86)
CAS: 121196-80-3
CID: 16138353
Formula: C81H129N25O30
MW: 1933.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1933.0
XLogP3-16.2
Hydrogen Bond Donor Count30
Hydrogen Bond Acceptor Count33
Rotatable Bond Count64
Exact Mass1931.9337178
Monoisotopic Mass1931.9337178
Topological Polar Surface Area927 Ų
Heavy Atom Count136
Formal Charge0
Complexity4210
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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