M1T

6,6-dihydroxy-1-methoxyhexan-2-one

Created:	2010-09-14
Last modified:	2011-06-04

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1 entries where M1T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of M1T

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Chemical Component Summary
Name	6,6-dihydroxy-1-methoxyhexan-2-one
Systematic Name (OpenEye OEToolkits)	6,6-dihydroxy-1-methoxy-hexan-2-one
Formula	C₇ H₁₄ O₄
Molecular Weight	162.184
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CCCC(O)O)COC
SMILES	CACTVS	3.370	COCC(=O)CCCC(O)O
SMILES	OpenEye OEToolkits	1.7.0	COCC(=O)CCCC(O)O
Canonical SMILES	CACTVS	3.370	COCC(=O)CCCC(O)O
Canonical SMILES	OpenEye OEToolkits	1.7.0	COCC(=O)CCCC(O)O
InChI	InChI	1.03	InChI=1S/C7H14O4/c1-11-5-6(8)3-2-4-7(9)10/h7,9-10H,2-5H2,1H3
InChIKey	InChI	1.03	SIDFLZMSYWLVLY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	49867271

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.