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Pheromonotropin (pseudaletia separata)

CAT: 0804-HY-P10034Size: 1 EachDry Ice: NoHazardous: No
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Description
Pheromonotropin (Pseudaletia separata) (Pss-PT) is an armyworm (Pseudaletia separata) pheromone with the C-terminal pentapeptide FXPRL-amide. Pheromonotropin (Pseudaletia separata) belongs to the PK/PBAN family and stimulates sex pheromone biosynthesis in moths, mediating feeding (intestinal muscle contraction), development (embryonic diapause, pupal diapause, and pupation), and defense against natural enemy insects wait[1].
CAS Number
141281-40-5
Product Name Alternative
Pss-PT
UNSPSC
12352209
Target
Endogenous Metabolite
Type
Peptides
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/pheromonotropin-pseudaletia-separata.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](CC1=CC=C(C=C1)O)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H]([C@H](O)C)C(N4[C@@H](CCC4)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCCN)N
Molecular Formula
C101H155N25O30
Molecular Weight
2199.46
References & Citations
[1]Altstein M. Role of neuropeptides in sex pheromone production in moths. Peptides. 2004 Sep;25 (9) :1491-501.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Pheromonotropin (pseudaletia separata)
CAS Number141281-40-5
PubChem CID169450765
IUPAC Name(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC101H155N25O30
Molecular Weight2199.5
XLogP-10.5
Topological Polar Surface Area922
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count34
Rotatable Bond Count73
Heavy Atom Count156
Formal Charge0
Complexity4740
SMILES
C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C101H155N25O30/c1-51(2)42-65(83(106)139)114-85(141)62(28-20-40-109-101(107)108)112-97(153)74-29-21-41-126(74)100(156)82(55(9)128)125-94(150)69(45-57-24-14-11-15-25-57)116-87(143)64(35-37-77(133)134)113-98(154)80(53(5)6)124-95(151)70(47-75(105)130)118-86(142)63(34-36-76(131)132)111-90(146)68(44-56-22-12-10-13-23-56)121-99(155)81(54(7)8)123-88(144)61(27-17-19-39-103)110-92(148)71(48-78(135)136)120-93(149)72(49-79(137)138)119-91(147)67(46-58-30-32-59(129)33-31-58)117-96(152)73(50-127)122-89(145)66(43-52(3)4)115-84(140)60(104)26-16-18-38-102/h10-15,22-25,30-33,51-55,60-74,80-82,127-129H,16-21,26-29,34-50,102-104H2,1-9H3,(H2,105,130)(H2,106,139)(H,110,148)(H,111,146)(H,112,153)(H,113,154)(H,114,141)(H,115,140)(H,116,143)(H,117,152)(H,118,142)(H,119,147)(H,120,149)(H,121,155)(H,122,145)(H,123,144)(H,124,151)(H,125,150)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H4,107,108,109)/t55-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,80+,81+,82+/m1/s1
InChIKey
JEJYDQGJLNREFP-STCZQTAKSA-N
Chemical Structure
2D Structure
2D structure of Pheromonotropin (pseudaletia separata)
CAS: 141281-40-5
CID: 169450765
Formula: C101H155N25O30
MW: 2199.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2199.5
XLogP3-10.5
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count34
Rotatable Bond Count73
Exact Mass2199.1405235
Monoisotopic Mass2198.1371686
Topological Polar Surface Area922 Ų
Heavy Atom Count156
Formal Charge0
Complexity4740
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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