Products for Research Use Only
RegisterLogin

Flagelin 22

CAT: 0931-TP1170-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TP1170-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
304642-91-9
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Flagelin 22, a bacterial flagellin fragment, serves as a potent elicitor for plants and algae.
Smiles
[C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CCC(N)=O)N)=O)CCCNC(=N)N)=O)CC(C)C)=O)CO)=O)[C@@H](C)O)=O)=O)CO)=O)CCCNC(=N)N)=O)(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(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)C)=O)[C@H](CC)C)=O)CCC(N)=O)=O)CC(C)C)=O)=O)C)=O)C)=O)CC(O)=O)=O)CC(O)=O)=O)CCCCN)=O)C)=O)CO)=O)CC(N)=O)=O)[C@H](CC)C
Molecular Formula
C93H162N32O34
Molecular Weight
2272.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flagellin 22
CAS Number304642-91-9
PubChem CID171318003
IUPAC Name(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(1S)-1-carboxyethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC93H162N32O34
Molecular Weight2272.5
XLogP-17.3
Topological Polar Surface Area1110
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count38
Rotatable Bond Count81
Heavy Atom Count159
Formal Charge0
Complexity5000
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C93H162N32O34/c1-14-42(7)69(89(156)110-47(12)91(158)159)123-79(146)53(24-26-63(97)131)116-81(148)54(30-40(3)4)111-65(133)35-105-72(139)44(9)107-73(140)45(10)108-80(147)57(33-67(135)136)119-84(151)58(34-68(137)138)118-76(143)50(20-16-17-27-94)113-74(141)46(11)109-85(152)60(38-127)121-83(150)56(32-64(98)132)120-90(157)70(43(8)15-2)124-78(145)52(22-19-29-104-93(101)102)115-86(153)59(37-126)112-66(134)36-106-88(155)71(48(13)129)125-87(154)61(39-128)122-82(149)55(31-41(5)6)117-77(144)51(21-18-28-103-92(99)100)114-75(142)49(95)23-25-62(96)130/h40-61,69-71,126-129H,14-39,94-95H2,1-13H3,(H2,96,130)(H2,97,131)(H2,98,132)(H,105,139)(H,106,155)(H,107,140)(H,108,147)(H,109,152)(H,110,156)(H,111,133)(H,112,134)(H,113,141)(H,114,142)(H,115,153)(H,116,148)(H,117,144)(H,118,143)(H,119,151)(H,120,157)(H,121,150)(H,122,149)(H,123,146)(H,124,145)(H,125,154)(H,135,136)(H,137,138)(H,158,159)(H4,99,100,103)(H4,101,102,104)/t42-,43-,44-,45-,46-,47-,48+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,69-,70-,71-/m0/s1
InChIKey
APMFZSYJLNYAAU-SRQOELEMSA-N
Chemical Structure
2D Structure
2D structure of Flagellin 22
CAS: 304642-91-9
CID: 171318003
Formula: C93H162N32O34
MW: 2272.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2272.5
XLogP3-17.3
Hydrogen Bond Donor Count39
Hydrogen Bond Acceptor Count38
Rotatable Bond Count81
Exact Mass2271.1931204
Monoisotopic Mass2271.1931204
Topological Polar Surface Area1110 Ų
Heavy Atom Count159
Formal Charge0
Complexity5000
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T71195-01MPTP-IN-22
T70645-01HA-22
T212142-01FGFR-IN-22
T211041-01CYP51-IN-22
T209555-01TRK-IN-22
T206630-01TNF-α-IN-22
T204200-01FGFR4-IN-22
T203504-01Tyk2-IN-22
T203489-01FAK-IN-22
T203092-01GRL093-22

Alternative Products

CatalogName
HY-P1568-01Flagelin 22
B8780-1Flagelin 22 TFA
GTR19154011-01Flagelin 22 (TFA)
MBS5827269Flagelin 22 acetate
GTR19029526-01Flagelin 22 TFA (304642-91-9 free base)

Popular Products