SPS

SPARSOMYCIN

Created:	2002-08-01
Last modified:	2012-01-05

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9 entries where SPS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	2
Bond Count	42
Aromatic Bond Count	6

2D diagram of SPS

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Chemical Component Summary
Name	SPARSOMYCIN
Systematic Name (OpenEye OEToolkits)	(E)-N-[(2S)-1-hydroxy-3-[(R)-methylsulfanylmethylsulfinyl]propan-2-yl]-3-(4-methyl-2,6-dioxo-3H-pyrimidin-5-yl)prop-2-enamide
Formula	C₁₃ H₁₉ N₃ O₅ S₂
Molecular Weight	361.437
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=C(\C=C\C(=O)NC(CS(=O)CSC)CO)C(=O)N1)C
SMILES	CACTVS	3.385	CSC[S](=O)C[CH](CO)NC(=O)C=CC1=C(C)NC(=O)NC1=O
SMILES	OpenEye OEToolkits	1.7.5	CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC
Canonical SMILES	CACTVS	3.385	CSC[S@](=O)C[C@H](CO)NC(=O)/C=C/C1=C(C)NC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.5	CC1=C(C(=O)NC(=O)N1)/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CSC
InChI	InChI	1.03	InChI=1S/C13H19N3O5S2/c1-8-10(12(19)16-13(20)14-8)3-4-11(18)15-9(5-17)6-23(21)7-22-2/h3-4,9,17H,5-7H2,1-2H3,(H,15,18)(H2,14,16,19,20)/b4-3+/t9-,23+/m0/s1
InChIKey	InChI	1.03	XKLZIVIOZDNKEQ-CLQLPEFOSA-N

Drug Info: DrugBank

DrugBank ID	DB04222
Name	Sparsomycin
Groups	experimental
Description	An antitumor antibiotic produced by Streptomyces sparsogenes. It inhibits protein synthesis in 70S and 80S ribosomal systems. [PubChem]
Synonyms	Sparsomycine Sparsomycinum Sparsomycin Esparsomicina
Categories	Antibiotics, Antineoplastic Antineoplastic Agents Enzyme Inhibitors Protein Synthesis Inhibitors Pyrimidines Pyrimidinones
CAS number	1404-64-4

Related Resource References

Resource Name	Reference
PubChem	9543443
ChEMBL	CHEMBL105720

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.