Neuropeptide Y (26-36)
PubChem CID
25079052
Structure
Molecular Formula
Synonyms
- Neuropeptide Y (26-36)
- 113676-81-6
- Npy (26-36)
- L-Histidyl-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-leucyl-L-isoleucyl-L-threonyl-L-arginyl-L-glutaminyl-L-arginyl-L-tyrosinamide
- DTXSID80150517
Molecular Weight
1475.7 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2008-12-10
- Modify:2025-01-11
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, too flexible
SVG Image
IUPAC Condensed
H-His-Tyr-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr-NH2
Sequence
HYINLITRQRY
PLN
H-HYINLITRQRY-[NH2]
HELM
PEPTIDE1{H.Y.I.N.L.I.T.R.Q.R.Y.[am]}$$$$
IUPAC
L-histidyl-L-tyrosyl-L-isoleucyl-L-asparagyl-L-leucyl-L-isoleucyl-L-threonyl-L-arginyl-L-glutaminyl-L-arginyl-L-tyrosinamide
(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C67H106N22O16/c1-8-34(5)52(87-62(102)48(28-38-16-20-41(92)21-17-38)84-56(96)42(68)29-39-31-76-32-79-39)63(103)86-49(30-51(70)94)60(100)85-47(26-33(3)4)61(101)88-53(35(6)9-2)64(104)89-54(36(7)90)65(105)82-44(13-11-25-78-67(74)75)57(97)81-45(22-23-50(69)93)59(99)80-43(12-10-24-77-66(72)73)58(98)83-46(55(71)95)27-37-14-18-40(91)19-15-37/h14-21,31-36,42-49,52-54,90-92H,8-13,22-30,68H2,1-7H3,(H2,69,93)(H2,70,94)(H2,71,95)(H,76,79)(H,80,99)(H,81,97)(H,82,105)(H,83,98)(H,84,96)(H,85,100)(H,86,103)(H,87,102)(H,88,101)(H,89,104)(H4,72,73,77)(H4,74,75,78)/t34-,35-,36+,42-,43-,44-,45-,46-,47-,48-,49-,52-,53-,54-/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
NVSKWNGRDPRFPF-ANSQDGHYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C67H106N22O16
Computed by PubChem 2.2 (PubChem release 2024.11.20)
113676-81-6
- neuropeptide Y (26-36)
- NPY (26-36)
- Neuropeptide Y (26-36)
- 113676-81-6
- Npy (26-36)
- L-Histidyl-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-leucyl-L-isoleucyl-L-threonyl-L-arginyl-L-glutaminyl-L-arginyl-L-tyrosinamide
- DTXSID80150517
- L-Tyrosinamide, L-histidyl-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-leucyl-L-isoleucyl-L-threonyl-L-arginyl-L-glutaminyl-L-arginyl-
- CHEMBL383862
- DTXCID3073008
- BDBM82288
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
1475.7 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
-3.4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
22
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
20
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
47
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
1474.81571538 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
1474.81571538 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
664 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
105
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
2940
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
14
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 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusNeuropeptide Y (26-36)https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0113676816ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxNeuropeptide Y (26-36)https://comptox.epa.gov/dashboard/DTXSID80150517CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- WikidataNeuropeptide Y (26-36)https://www.wikidata.org/wiki/Q83016642
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlneuropeptide Y (26-36)https://www.ncbi.nlm.nih.gov/mesh/67062313
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS