Identità

(R)-Methylmalonyl-CoA

Non indicato · C25H40N7O19P3S

01Identità

Lazychem ID	LC-50864
CAS RN	Non indicato
PubChem CID	449534
Molecular formula	C25H40N7O19P3S
Molecular weight	867.6 g/mol
IUPAC name	(2R)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoic acid
InChIKey	MZFOKIKEPGUZEN-AGCMQPJKSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of (R)-Methylmalonyl-CoA — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChI	Non indicato

03Stereochemistry

The published structure contains 6 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.