EQP

(1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol

Created:	1999-07-08
Last modified:	2020-07-17

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5 entries where EQP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	6
Bond Count	41
Aromatic Bond Count	0

2D diagram of EQP

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Chemical Component Summary
Name	(1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
Synonyms	(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID
Systematic Name (OpenEye OEToolkits)	[(2R,4S,5R,6R)-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]phosphonic acid
Formula	C₁₀ H₂₀ N O₉ P
Molecular Weight	329.241
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
SMILES	CACTVS	3.341	CC(=O)N[CH]1[CH](O)C[CH](O[CH]1[CH](O)[CH](O)CO)[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NC1C(CC(OC1C(C(CO)O)O)P(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	CC(=O)N[C@@H]1[C@@H](O)C[C@H](O[C@H]1[C@H](O)[C@H](O)CO)[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1
InChIKey	InChI	1.03	QITAGYVZDNZULE-IHICSVBISA-N

Related Resource References

Resource Name	Reference
PubChem	445078

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