LX1

L-XYLULOSE 5-PHOSPHATE

Created:	2003-08-19
Last modified:	2011-06-04

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2 entries where LX1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	3
Bond Count	25
Aromatic Bond Count	0

2D diagram of LX1

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Chemical Component Summary
Name	L-XYLULOSE 5-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S,3S,4R)-2,3,4-trihydroxypentyl] dihydrogen phosphate
Formula	C₅ H₁₃ O₇ P
Molecular Weight	216.126
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)C
SMILES	CACTVS	3.341	C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(C(COP(=O)(O)O)O)O)O
Canonical SMILES	CACTVS	3.341	C[C@@H](O)[C@H](O)[C@@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C5H13O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4+,5+/m1/s1
InChIKey	InChI	1.03	YPXGTKHZRCDZTL-WISUUJSJSA-N

Related Resource References

Resource Name	Reference
PubChem	657103

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