1SH

2-(methylamino)ethyl dihydrogen phosphate

Created:	2013-05-17
Last modified:	2013-09-25

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1 entries where 1SH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

2D diagram of 1SH

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Chemical Component Summary
Name	2-(methylamino)ethyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	2-(methylamino)ethyl dihydrogen phosphate
Formula	C₃ H₁₀ N O₄ P
Molecular Weight	155.09
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(OCCNC)(O)O
SMILES	CACTVS	3.370	CNCCO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CNCCOP(=O)(O)O
Canonical SMILES	CACTVS	3.370	CNCCO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CNCCOP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
InChIKey	InChI	1.03	HZDCAHRLLXEQFY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	439436
ChEMBL	CHEMBL3109285
ChEBI	CHEBI:16463

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.