TYO

(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID

Created:	2006-09-22
Last modified:	2024-09-27

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1 entries where TYO is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	0

2D diagram of TYO

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Chemical Component Summary
Name	(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S,6E)-2-amino-7-hydroperoxy-4-(2-hydroxyethenyl)hepta-4,6-dienoic acid
Formula	C₉ H₁₃ N O₅
Molecular Weight	215.203
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CC(\C=C\O)=C\C=C\OO
SMILES	CACTVS	3.341	N[CH](CC(C=CO)=CC=COO)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(=O)O)N)C(=CC=COO)C=CO
Canonical SMILES	CACTVS	3.341	N[C@@H](CC(/C=C/O)=C/C=C/OO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO
InChI	InChI	1.03	InChI=1S/C9H13NO5/c10-8(9(12)13)6-7(3-4-11)2-1-5-15-14/h1-5,8,11,14H,6,10H2,(H,12,13)/b4-3?,5-1+,7-2+/t8-/m0/s1
InChIKey	InChI	1.03	AMEKAKFJYGGFTQ-BFJUJRPPSA-N

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.