WMI

(4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione

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

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

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	3
Bond Count	50
Aromatic Bond Count	6

2D diagram of WMI

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Chemical Component Summary
Name	(4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
Systematic Name (OpenEye OEToolkits)	(4~{S},9~{S},10~{S})-4-methyl-9,10,16,18-tetrakis(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-triene-2,8-dione
Formula	C₁₈ H₂₄ O₇
Molecular Weight	352.379
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1CCCC(=O)[CH](O)[CH](O)CCCc2cc(O)cc(O)c2C(=O)O1
SMILES	OpenEye OEToolkits	2.0.7	CC1CCCC(=O)C(C(CCCc2cc(cc(c2C(=O)O1)O)O)O)O
Canonical SMILES	CACTVS	3.385	C[C@H]1CCCC(=O)[C@@H](O)[C@@H](O)CCCc2cc(O)cc(O)c2C(=O)O1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H]1CCCC(=O)[C@H]([C@H](CCCc2cc(cc(c2C(=O)O1)O)O)O)O
InChI	InChI	1.06	InChI=1S/C18H24O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,14,17,19,21-23H,2-7H2,1H3/t10-,14-,17?/m0/s1
InChIKey	InChI	1.06	HLPZXKVMGLUVBS-GNAKQSIWSA-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.