GtoPdb is requesting financial support from commercial users. Please see our sustainability page for more information.

neuronostatin   Click here for help

GtoPdb Ligand ID: 5654

Synonyms: neuronostatin-13
Compound class: Endogenous peptide in human, mouse or rat
Species: Human, Pig
2D Structure
Click here for help

2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

✖
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help

SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

✖
Canonical SMILES NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)C)C)C)C)CC(C)C)CO)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCCN=C(N)N)CCC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N
Isomeric SMILES CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O
InChI InChI=1S/C64H109N19O17/c1-32(2)27-40(66)54(90)76-42(20-16-26-71-64(69)70)55(91)78-44(22-24-50(68)86)58(94)82-47(30-39-17-12-11-13-18-39)61(97)80-46(29-34(5)6)60(96)79-43(21-23-49(67)85)57(93)77-41(19-14-15-25-65)56(92)83-48(31-84)62(98)81-45(28-33(3)4)59(95)74-37(9)52(88)72-35(7)51(87)73-36(8)53(89)75-38(10)63(99)100/h11-13,17-18,32-38,40-48,84H,14-16,19-31,65-66H2,1-10H3,(H2,67,85)(H2,68,86)(H,72,88)(H,73,87)(H,74,95)(H,75,89)(H,76,90)(H,77,93)(H,78,91)(H,79,96)(H,80,97)(H,81,98)(H,82,94)(H,83,92)(H,99,100)(H4,69,70,71)/t35-,36-,37-,38-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI Key QMXYKUFZQPEQES-UZSBMYCGSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Endogenous peptide in human, mouse or rat
Ligand families/groups Neuropeptides
Synonyms Click here for help
neuronostatin-13
Gene/Precursor Click here for help
Gene symbol Gene name Species Precursor protein name Synonyms
SST somatostatin Human prepro-somatostatin SMST, somatostatin-14, somatostatin-28
SST somatostatin Pig prepro-somatostatin -
Database Links Click here for help
Ensembl Gene ENSG00000157005 (Hs)
GtoPdb PubChem SID 178102282
Human Protein Atlas ENSG00000157005 (Hs)
OMIM 182450 (Hs)
PubChem CID 155817477
Search Google for chemical match using the InChIKey QMXYKUFZQPEQES-UZSBMYCGSA-N
Search Google for chemicals with the same backbone QMXYKUFZQPEQES
UniChem Compound Search for chemical match using the InChIKey QMXYKUFZQPEQES-UZSBMYCGSA-N
UniChem Connectivity Search for chemical match using the InChIKey QMXYKUFZQPEQES-UZSBMYCGSA-N
UniProtKB P61278 (Hs)