| SpectraBase Spectrum ID |
AqJZNxE04ID |
| Name |
2'-Deoxycytidine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
3992-42-5 |
| Comments |
100 mM 2'-Deoxycytidine - Sigma-Aldrich D3897
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9 H13 N3 O4 |
| IUPAC Name |
4-amino-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidin-2-one; 4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one; 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone |
| InChI |
InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 |
| InChIKey |
CKTSBUTUHBMZGZ-SHYZEUOFSA-N |
| PubChem Compound ID |
637 |
| SMILES |
C1C(C(OC1N2C=CC(=NC2=O)N)CO)O |
| Source File Reference |
bmse000323 |
