M1P

1-O-phosphono-alpha-D-mannopyranose

Created:	2003-05-22
Last modified:	2020-07-17

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8 entries where M1P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	5
Bond Count	29
Aromatic Bond Count	0

2D diagram of M1P

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Chemical Component Summary
Name	1-O-phosphono-alpha-D-mannopyranose
Synonyms	ALPHA-D-MANNOSE 1-PHOSPHATE; 1-O-phosphono-alpha-D-mannose; 1-O-phosphono-D-mannose; 1-O-phosphono-mannose
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
Formula	C₆ H₁₃ O₉ P
Molecular Weight	260.136
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OC1OC(C(O)C(O)C1O)CO)(O)O
SMILES	CACTVS	3.341	OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@H]1O[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
InChIKey	InChI	1.03	HXXFSFRBOHSIMQ-RWOPYEJCSA-N

Drug Info: DrugBank

DrugBank ID	DB17678
Name	Alpha-D-mannose 1-phosphate
Groups	investigational
Synonyms	.alpha.-d-mannopyranose, 1-(dihydrogen phosphate) Mannose 1-phosphate, .alpha.-d- Alpha-D-mannose 1-phosphate Mannopyranose, 1-(dihydrogen phosphate), .alpha.-d- .alpha.-d-mannose 1-phosphate
CAS number	15978-07-1

Related Resource References

Resource Name	Reference
PubChem	439279
ChEMBL	CHEMBL291890
ChEBI	CHEBI:18205

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.