O1B

(2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate

Created:	2020-01-20
Last modified:	2020-07-29

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1 entries where O1B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	3
Bond Count	34
Aromatic Bond Count	0

2D diagram of O1B

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Chemical Component Summary
Name	(2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate
Systematic Name (OpenEye OEToolkits)	[(2~{R},3~{R},4~{S})-5-(2-azanylethylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate
Formula	C₇ H₁₇ N₂ O₈ P
Molecular Weight	288.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C(CNC(=O)C(C(C(COP(=O)(O)O)O)O)O)N
Canonical SMILES	CACTVS	3.385	NCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N
InChI	InChI	1.03	InChI=1S/C7H17N2O8P/c8-1-2-9-7(13)6(12)5(11)4(10)3-17-18(14,15)16/h4-6,10-12H,1-3,8H2,(H,9,13)(H2,14,15,16)/t4-,5-,6+/m1/s1
InChIKey	InChI	1.03	FUFPHFARIIPLRI-PBXRRBTRSA-N

Related Resource References

Resource Name	Reference
PubChem	146680868

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