YX0

[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucopyranoside

Created:	2008-05-22
Last modified:	2020-07-17

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1 entries where YX0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	5
Bond Count	40
Aromatic Bond Count	0

2D diagram of YX0

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Chemical Component Summary
Name	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucopyranoside
Synonyms	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside; [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucoside; [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl L-fucoside; [(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl fucoside
Systematic Name (OpenEye OEToolkits)	(2R,3S,4R,5S,6S)-2-[[(3E)-3-(1-hydroxyethylidene)-1,2-oxazol-5-yl]methoxy]-6-methyl-oxane-3,4,5-triol
Formula	C₁₂ H₁₉ N O₇
Molecular Weight	289.282
Type	L-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(CC=1ONC(=C(\O)C)\C=1)C2OC(C(O)C(O)C2O)C
SMILES	CACTVS	3.341	C[CH]1O[CH](OCC2=CC(NO2)=C(C)O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CC1C(C(C(C(O1)OCC2=CC(=C(C)O)NO2)O)O)O
Canonical SMILES	CACTVS	3.341	C[C@@H]1O[C@@H](OCC2=C\C(NO2)=C(C)/O)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)\O)/NO2)O)O)O
InChI	InChI	1.03	InChI=1S/C12H19NO7/c1-5(14)8-3-7(20-13-8)4-18-12-11(17)10(16)9(15)6(2)19-12/h3,6,9-17H,4H2,1-2H3/b8-5+/t6-,9+,10+,11-,12+/m0/s1
InChIKey	InChI	1.03	DQRDRRBASDQFKR-AWJQDWPASA-N

Related Resource References

Resource Name	Reference
PubChem	49867888

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.