EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H33N5O9 |
| Net Charge | 0 |
| Average Mass | 487.510 |
| Monoisotopic Mass | 487.22783 |
| SMILES | CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O |
| InChI | InChI=1S/C20H33N5O9/c1-11(27)22-14(10-26)18(31)24-13(9-16(28)29)17(30)23-12(5-2-3-7-21)19(32)25-8-4-6-15(25)20(33)34/h12-15,26H,2-10,21H2,1H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)(H,33,34)/t12-,13-,14-,15-/m0/s1 |
| InChIKey | HJDRXEQUFWLOGJ-AJNGGQMLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | pro-angiogenic agent Any compound that promotes the growth of new blood vessels from pre-existing vessels. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| goralatide (CHEBI:191178) has functional parent Ser-Asp-Lys-Pro (CHEBI:191177) |
| goralatide (CHEBI:191178) has role anti-inflammatory agent (CHEBI:67079) |
| goralatide (CHEBI:191178) has role pro-angiogenic agent (CHEBI:72571) |
| goralatide (CHEBI:191178) is a tetrapeptide (CHEBI:48030) |
| goralatide (CHEBI:191178) is conjugate acid of goralatide(1−) (CHEBI:190701) |
| Incoming Relation(s) |
| goralatide(1−) (CHEBI:190701) is conjugate base of goralatide (CHEBI:191178) |
| IUPAC Name |
|---|
| N-acetyl-L-seryl-L-α-aspartyl-L-lysyl-L-proline |
| INNs | Source |
|---|---|
| goralatida | WHO MedNet |
| goralatide | WHO MedNet |
| goralatide | WHO MedNet |
| goralatidum | WHO MedNet |
| Synonyms | Source |
|---|---|
| (2S)-1-[(2S)-2-{[(2S)-2-{[(2S)-2-acetamido-3-hydroxypropanoyl]amino}-3-carboxypropanoyl]amino}-6-aminohexanoyl]pyrrolidine-2-carboxylic acid | IUPAC |
| acetyl-N-Ser-Asp-Lys-Pro | ChEBI |
| acetyl-seryl-aspartyl-lysyl-proline | ChEBI |
| Ac-SDKP | HMDB |
| AcSDKP | ChEBI |
| Ac-Ser-Asp-Lys-Pro | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 59343 | ChemSpider |
| HMDB0062552 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:120081-14-3 | ChemIDplus |
| Citations |
|---|