X15

1,3-BISPHOSPHOGLYCERIC ACID

Created:	2009-12-21
Last modified:	2011-06-04

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1 entries where X15 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	0

2D diagram of X15

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Chemical Component Summary
Name	1,3-BISPHOSPHOGLYCERIC ACID
Systematic Name (OpenEye OEToolkits)	phosphono (2R)-2-hydroxy-3-phosphonooxy-propanoate
Formula	C₃ H₈ O₁₀ P₂
Molecular Weight	266.037
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(=O)OP(=O)(O)O
SMILES	CACTVS	3.352	O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.6.1	C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O
Canonical SMILES	CACTVS	3.352	O[C@H](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKey	InChI	1.03	LJQLQCAXBUHEAZ-UWTATZPHSA-N

Related Resource References

Resource Name	Reference
PubChem	439191
ChEBI	CHEBI:16001

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