XDP

D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where XDP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	2
Bond Count	32
Aromatic Bond Count	0

2D diagram of XDP

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Chemical Component Summary
Name	D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(3S,4R)-2,2,3,4-tetrahydroxy-5-phosphonooxy-pentyl] dihydrogen phosphate
Formula	C₅ H₁₄ O₁₂ P₂
Molecular Weight	328.105
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)(O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH](CO[P](O)(O)=O)[CH](O)C(O)(O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[C@H](CO[P](O)(O)=O)[C@H](O)C(O)(O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C5H14O12P2/c6-3(1-16-18(10,11)12)4(7)5(8,9)2-17-19(13,14)15/h3-4,6-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+/m1/s1
InChIKey	InChI	1.03	XXHQHBUKQCAIGV-DMTCNVIQSA-N

Related Resource References

Resource Name	Reference
PubChem	448316

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