oryzatensin   Click here for help

GtoPdb Ligand ID: 10227

Compound class: Peptide or derivative
Comment: Oryzatensin is a complement receptor C3a peptide agonist that was isolated from a tryptic digest of rice albumin [2].
2D Structure
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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.

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SMILES / InChI / InChIKey
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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.

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Canonical SMILES CSCCC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)C1CCCN1C(=O)C(Cc1ccc(cc1)O)NC(=O)CN
Isomeric SMILES CSCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CCCN=C(N)N)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CN
InChI InChI=1S/C52H76N12O12S/c1-30(2)26-37(48(72)62-22-6-10-41(62)46(70)59-36(51(75)76)8-4-21-56-52(54)55)61-47(71)42-11-7-24-64(42)50(74)39(28-32-14-18-34(66)19-15-32)60-44(68)35(20-25-77-3)58-45(69)40-9-5-23-63(40)49(73)38(57-43(67)29-53)27-31-12-16-33(65)17-13-31/h12-19,30,35-42,65-66H,4-11,20-29,53H2,1-3H3,(H,57,67)(H,58,69)(H,59,70)(H,60,68)(H,61,71)(H,75,76)(H4,54,55,56)/t35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChI Key CUWIGJUCRMYFBS-BXXNOCLASA-N
Classification Click here for help
Compound class Peptide or derivative
IUPAC Name Click here for help
glycyl-L-tyrosyl-L-prolyl-L-methionyl-L-tyrosyl-L-prolyl-L-leucyl-L-prolyl-L-arginine
Database Links Click here for help
Specialist databases
GPCRdb Ligand oryzatensin
Other databases
GtoPdb PubChem SID 381744909
PubChem CID 101688584
Search Google for chemical match using the InChIKey CUWIGJUCRMYFBS-BXXNOCLASA-N
Search Google for chemicals with the same backbone CUWIGJUCRMYFBS
UniChem Compound Search for chemical match using the InChIKey CUWIGJUCRMYFBS-BXXNOCLASA-N
UniChem Connectivity Search for chemical match using the InChIKey CUWIGJUCRMYFBS-BXXNOCLASA-N