5M2

(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid

Created:	2015-10-21
Last modified:	2016-10-26

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1 entries where 5M2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	10

2D diagram of 5M2

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Chemical Component Summary
Name	(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
Systematic Name (OpenEye OEToolkits)	(~{Z})-4-(4-methyl-1~{H}-indol-5-yl)-2-oxidanyl-4-oxidanylidene-but-2-enoic acid
Formula	C₁₃ H₁₁ N O₄
Molecular Weight	245.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1c(ccc2[nH]ccc12)C(=O)C=C(O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	Cc1c2cc[nH]c2ccc1C(=O)C=C(C(=O)O)O
Canonical SMILES	CACTVS	3.385	Cc1c(ccc2[nH]ccc12)C(=O)\C=C(/O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)\O
InChI	InChI	1.03	InChI=1S/C13H11NO4/c1-7-8-4-5-14-10(8)3-2-9(7)11(15)6-12(16)13(17)18/h2-6,14,16H,1H3,(H,17,18)/b12-6-
InChIKey	InChI	1.03	QJSXAVSRYGOMTR-SDQBBNPISA-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.