2D structurePubChem CID 135402010
Identidade
(3H)N5-methylfolate
Não indicado · C20H25N7O6
01Identidade
| Lazychem ID | LC-55295 |
|---|---|
| CAS RN | Não indicado |
| PubChem CID | 135402010 |
| Molecular formula | C20H25N7O6 |
| Molecular weight | 459.5 g/mol |
| IUPAC name | 2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid |
| InChIKey | ZNOVTXRBGFNYRX-UHFFFAOYSA-N |
02Estrutura e estereoquímica
2D structurePubChem CID 135402010
The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 3 |
| Secondary amines | 2 |
| Tertiary amines | 1 |
| SMILES | CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O |
|---|---|
| InChI | Não indicado |
03Stereochemistry
The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
4 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 135415868
5-Methyltetrahydrofolic acid
CAS not listed
ZNOVTXRBGFNYRX-ABLWVSNPSA-N
1 defined, 1 unassigned centres
2D structurePubChem CID 135813052
2D structurePubChem CID 135398561
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Estado na Índia
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomes e relações
API e fármaco de origem
Não indicado
Nomes e relações
06Fontes
- S01PubChem CID 135402010
Structure and machine-readable chemical identifiers.