RP6

5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid

Created:	2010-10-27
Last modified:	2020-07-17

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1 entries where RP6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	5
Bond Count	44
Aromatic Bond Count	0

2D diagram of RP6

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Chemical Component Summary
Name	5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
Synonyms	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S)-3-acetamido-4-hydroxy-5-prop-2-enyl-2-[(2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Formula	C₁₄ H₂₁ N O₈
Molecular Weight	331.318
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1C/C=C
SMILES	CACTVS	3.370	CC(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)CC=C
SMILES	OpenEye OEToolkits	1.7.0	CC(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)CC=C)O
Canonical SMILES	CACTVS	3.370	CC(=O)N[C@@H]1[C@@H](O)C(=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)CC=C
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O
InChI	InChI	1.03	InChI=1S/C14H21NO8/c1-3-4-7-10(19)9(15-6(2)17)13(11(20)8(18)5-16)23-12(7)14(21)22/h3,8-11,13,16,18-20H,1,4-5H2,2H3,(H,15,17)(H,21,22)/t8-,9-,10+,11-,13-/m1/s1
InChIKey	InChI	1.03	OXBQHTTZDDRTNB-BZNQNGANSA-N

Related Resource References

Resource Name	Reference
PubChem	46926584

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.