KPS

pseudouridine 5'-phosphate, linear

Created:	2012-08-16
Last modified:	2024-09-27

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1 entries where KPS is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	3
Bond Count	36
Aromatic Bond Count	0

2D diagram of KPS

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Chemical Component Summary
Name	pseudouridine 5'-phosphate, linear
Synonyms	1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4S)-5-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula	C₉ H₁₅ N₂ O₉ P
Molecular Weight	326.197
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O
SMILES	CACTVS	3.370	O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)CC1=CNC(=O)NC1=O
SMILES	OpenEye OEToolkits	1.7.6	C1=C(C(=O)NC(=O)N1)CC(C(C(COP(=O)(O)O)O)O)O
Canonical SMILES	CACTVS	3.370	O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)CC1=CNC(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C1=C(C(=O)NC(=O)N1)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1
InChIKey	InChI	1.03	GIMVKTFECLUQAU-XVMARJQXSA-N

Related Resource References

Resource Name	Reference
PubChem	137349656

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