| SpectraBase Spectrum ID |
6C4eBL9UdDi |
| Name |
Cytidine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
4395-95-3
65-46-3 |
| ChEBI ID |
17562 |
| Comments |
100 mM Cytidine Free Base - vendor: MP Biomedicals 194651; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9H13N3O5 |
| IUPAC Name |
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one; 4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one |
| InChI |
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey |
UHDGCWIWMRVCDJ-XVFCMESISA-N |
| KEGG Compound ID |
C00475 |
| KEGG Pathways |
PATH: map00240 Pyrimidine metabolism |
| PubChem Compound ID |
6175 |
| SMILES |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O |
| Source File Reference |
bmse000190 |
