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CHEBI:230136 - Ciraparantag
| Formula | C22H48N12O2 |
| Net Charge | 0 |
| Average Mass | 512.708 |
| Monoisotopic Mass | 512.40232 |
| SMILES | NC(N)=NCCC[C@H](N)C(=O)NCCCN1CCN(CCCNC(=O)[C@@H](N)CCCN=C(N)N)CC1 |
| InChI | InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)/t17-,18-/m0/s1 |
| InChIKey | HRDUUSCYRPOMSO-ROUUACIJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ciraparantag (CHEBI:230136) is a N-alkylpiperazine (CHEBI:46845) |
| IUPAC Name |
|---|
| (2S)-2-amino-N-[3-[4-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]piperazin-1-yl]propyl]-5-(diaminomethylideneamino)pentanamide |