MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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acetic anhydride

	Properties	Image
MNX_ID	MNXM40040
reference	chebi:36610
formula	C₄H₆O₃
global charge	0
mol weight	102.089
InChIKey	WFDIJRYMOXRFFG-UHFFFAOYSA-N
InChI	InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
SMILES	CC(=O)OC(C)=O

MNX internals

InChI (mnx)	InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
SMILES (mnx)	[CH3:1][C:3](=[O:5])[O:7][C:4]([CH3:2])=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:36610 chebi:36610 WFDIJRYMOXRFFG-UHFFFAOYSA-N	acetic anhydride (CH3CO)2O (MeCO)2O Ac2O Essigsaeureanhydrid acetanhydride acetic acid anhydride acetyl acetate acetyl oxide anhydride acetique ethanoic anhydrate ethanoic anhydride
hmdb:HMDB0031646 WFDIJRYMOXRFFG-UHFFFAOYSA-N	Acetic anhydride (CH3CO)2O (MeCO)2O Ac2O Acetanhydride Acetate anhydride Acetic acid anhydride Acetic acid, anhydride Acetic anhydride, 3H-labeled Acetic oxide Acetyl acetate Acetyl acetic acid Acetyl anhydride Acetyl ether Acetyl oxide Acetyltrimethyl-silane Anhydrid kyseliny octove Anhydride acetique Anidride acetica Azijnzuuranhydride Essigsaeureanhydrid Ethanoic anhydrate Ethanoic anhydric acid Ethanoic anhydride Octowy bezwodnik acetic anhydride acetyl acetate
envipath:...4ad2a660c78e envipathM:...4ad2a660c78e WFDIJRYMOXRFFG-UHFFFAOYSA-N	compound 0069997
hmdb:HMDB31646	secondary/obsolete/fantasy identifier