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Galanin(3-29) (rat/mouse)

PubChem CID
155817481
Structure
Galanin(3-29) (rat/mouse)_small.png
Molecular Formula
Synonyms
  • galanin(3-29) (rat/mouse)
  • GTPL6092
Molecular Weight
2922.2 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
  • Create:
    2021-03-19
  • Modify:
    2024-12-07

1 Structures

1.1 2D Structure

Chemical Structure Depiction
Galanin(3-29) (rat/mouse).png

1.2 3D Status

Conformer generation is disallowed since too many atoms, too flexible

2 Biologic Description

SVG Image
SVG Image
IUPAC Condensed
H-Thr-Leu-Asn-Ser-Ala-Gly-Tyr-Leu-Leu-Gly-Pro-His-Ala-Ile-Asp-Asn-His-Arg-Ser-Phe-Ser-Asp-Lys-His-Gly-Leu-Thr-OH
Sequence
TLNSAGYLLGPHAIDNHRSFSDKHGLT
PLN
H-TLNSAGYLLGPHAIDNHRSFSDKHGLT-OH
HELM
PEPTIDE1{T.L.N.S.A.G.Y.L.L.G.P.H.A.I.D.N.H.R.S.F.S.D.K.H.G.L.T}$$$$
IUPAC
L-threonyl-L-leucyl-L-asparagyl-L-seryl-L-alanyl-glycyl-L-tyrosyl-L-leucyl-L-leucyl-glycyl-L-prolyl-L-histidyl-L-alanyl-L-isoleucyl-L-alpha-aspartyl-L-asparagyl-L-histidyl-L-arginyl-L-seryl-L-phenylalanyl-L-seryl-L-alpha-aspartyl-L-lysyl-L-histidyl-glycyl-L-leucyl-L-threonine

3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)

3.1.2 InChI

InChI=1S/C128H197N39O40/c1-15-64(10)102(165-105(184)66(12)146-110(189)84(42-72-49-136-58-143-72)159-124(203)93-27-22-34-167(93)98(178)53-141-106(185)77(35-60(2)3)151-111(190)79(37-62(6)7)152-113(192)81(40-70-28-30-74(173)31-29-70)148-96(176)51-139-104(183)65(11)145-121(200)90(54-168)163-117(196)87(45-95(131)175)156-112(191)80(38-63(8)9)160-125(204)101(132)67(13)171)126(205)161-89(47-100(181)182)119(198)157-86(44-94(130)174)116(195)155-85(43-73-50-137-59-144-73)115(194)150-76(26-21-33-138-128(133)134)109(188)162-91(55-169)122(201)153-82(39-69-23-17-16-18-24-69)114(193)164-92(56-170)123(202)158-88(46-99(179)180)118(197)149-75(25-19-20-32-129)108(187)154-83(41-71-48-135-57-142-71)107(186)140-52-97(177)147-78(36-61(4)5)120(199)166-103(68(14)172)127(206)207/h16-18,23-24,28-31,48-50,57-68,75-93,101-103,168-173H,15,19-22,25-27,32-47,51-56,129,132H2,1-14H3,(H2,130,174)(H2,131,175)(H,135,142)(H,136,143)(H,137,144)(H,139,183)(H,140,186)(H,141,185)(H,145,200)(H,146,189)(H,147,177)(H,148,176)(H,149,197)(H,150,194)(H,151,190)(H,152,192)(H,153,201)(H,154,187)(H,155,195)(H,156,191)(H,157,198)(H,158,202)(H,159,203)(H,160,204)(H,161,205)(H,162,188)(H,163,196)(H,164,193)(H,165,184)(H,166,199)(H,179,180)(H,181,182)(H,206,207)(H4,133,134,138)/t64-,65-,66-,67+,68+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-,102-,103-/m0/s1
Computed by InChI 1.0.6 (PubChem release 2021.05.07)

3.1.3 InChIKey

OEYNEKWXIPNQHZ-VFYYSKAESA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)

3.1.4 SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC=N3)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)

3.2 Molecular Formula

C128H197N39O40
Computed by PubChem 2.1 (PubChem release 2021.05.07)

3.3 Synonyms

3.3.1 Depositor-Supplied Synonyms

4 Chemical and Physical Properties

4.1 Computed Properties

Property Name
Molecular Weight
Property Value
2922.2 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-14.6
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
43
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
46
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
93
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
2921.4613571 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
2920.4580022 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
1270Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
207
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
6710
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
27
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.01.04)

6 Literature

6.1 Consolidated References

7 Interactions and Pathways

7.1 Chemical-Target Interactions

8 Biological Test Results

8.1 BioAssay Results

9 Classification

9.1 IUPHAR / BPS Guide to PHARMACOLOGY Target Classification

10 Information Sources

  1. IUPHAR/BPS Guide to PHARMACOLOGY
    LICENSE
    The Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)
    https://www.guidetopharmacology.org/about.jsp#license
    Guide to Pharmacology Target Classification
    https://www.guidetopharmacology.org/targets.jsp
  2. PubChem
CONTENTS