RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136321 | |
|---|---|---|
| RefMet name | Chitotriose | |
| Systematic name | O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-O-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-Glucose | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 501.216992 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C18H35N3O13 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 38948 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C18H35N3O13/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17/h1,5-18,2 3-30H,2-4,19-21H2/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-/m0/s1 | |
| InChIKey | HBAVVSYNWHLVDB-UDAFUQIYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)N)O)N)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Carbohydrates | |
| Main Class | Oligosaccharides | |
| Sub Class | Oligosaccharides | |
| Distribution of Chitotriose in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Chitotriose | |
| External Links | ||
| Pubchem CID | 121978 | |
| ChEBI ID | 84373 | |
| HMDB ID | HMDB0006578 | |
| Chemspider ID | 108813 | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
