| SpectraBase Spectrum ID |
Cg3qrq2qUqj |
| Name |
Cytidine-5'-monophosphate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
30811-80-4; 63-37-6; 162756-87-8 |
| ChEBI ID |
17361 |
| Comments |
100 mM Cytidine-5'-monophosphate (batch compound from Sigma-Aldrich) - Sigma-Aldrich
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 H14 N3 O8 P |
| IUPAC Name |
[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; [(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate; [(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
| InChI |
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey |
IERHLVCPSMICTF-XVFCMESISA-N |
| KEGG Compound ID |
C00055 |
| KEGG Pathways |
PATH: ko00240 Pyrimidine metabolism |
| PubChem Compound ID |
6131 |
| SMILES |
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O; C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| Source File Reference |
bmse000311 |
