WMN

(4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione

Created:	2023-10-09
Last modified:	2025-04-16

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1 entries where WMN is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	3
Bond Count	51
Aromatic Bond Count	6

2D diagram of WMN

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Chemical Component Summary
Name	(4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione
Systematic Name (OpenEye OEToolkits)	(4~{S},9~{S},10~{S},13~{E})-4-methyl-9,10,17,19-tetrakis(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),13,15,17-tetraene-2,8-dione
Formula	C₁₉ H₂₄ O₇
Molecular Weight	364.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1CCCC(=O)[CH](O)[CH](O)CCC=Cc2cc(O)cc(O)c2C(=O)O1
SMILES	OpenEye OEToolkits	2.0.7	CC1CCCC(=O)C(C(CCC=Cc2cc(cc(c2C(=O)O1)O)O)O)O
Canonical SMILES	CACTVS	3.385	C[C@H]1CCCC(=O)[C@@H](O)[C@@H](O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1CCCC(=O)[C@H]([C@H](CC/C=C/c2cc(cc(c2C(=O)O1)O)O)O)O
InChI	InChI	1.06	InChI=1S/C19H24O7/c1-11-5-4-8-15(22)18(24)14(21)7-3-2-6-12-9-13(20)10-16(23)17(12)19(25)26-11/h2,6,9-11,14,18,20-21,23-24H,3-5,7-8H2,1H3/t11-,14?,18?/m0/s1
InChIKey	InChI	1.06	INPRLQYRFJHNKB-JCDGYTILSA-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.