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Summary Geometry Related PDB entries

YYA

Summary

Name:	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
Formula:	C11 H19 N O3
Formal charge:	0
Formula weight:	213.273 Da
Component type:	L-PEPTIDE LINKING

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid
OpenEye OEToolkits	1.7.0	(2S,3R,4R,6Z)-3-hydroxy-4-methyl-2-(methylamino)nona-6,8-dienoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(NC)C(O)C(C\C=C/C=C)C
SMILES_CANONICAL	CACTVS	3.370	CN[C@@H]([C@H](O)[C@H](C)C\C=C/C=C)C(O)=O
SMILES	CACTVS	3.370	CN[CH]([CH](O)[CH](C)CC=CC=C)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	C[C@H](C/C=C\C=C)[C@H]([C@@H](C(=O)O)NC)O
SMILES	OpenEye OEToolkits	1.7.0	CC(CC=CC=C)C(C(C(=O)O)NC)O
InChI	InChI	1.03	InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1
InChIKey	InChI	1.03	NEXZFPQXALQHRJ-YVAZZEHLSA-N

222415

PDB entries from 2024-07-10

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