alpha-methyl-cis-aconitate
cis-2-butene-1,2,3-tricarboxylic acid

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Name: (Z)-but-2-ene-1,2,3-tricarboxylic acid CAS Number: 6061-93-4 3D/inchi FDA UNII: Search Nikkaji Web: J678.271J XlogP3-AA: -0.60 (est) Molecular Weight: 188.13596000 Formula: C7 H8 O6 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:natural substances and extractives   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Soluble in:   water, 5.644e+004 mg/L @ 25 °C (est)   Organoleptic Properties: Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers:   None found   Safety Information:   Hazards identification   Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) None found. GHS Label elements, including precautionary statements   Pictogram   Hazard statement(s) None found. Precautionary statement(s) None found. Oral/Parenteral Toxicity: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: natural substances and extractives Recommendation for alpha-methyl-cis-aconitate usage levels up to:   not for fragrance use.   Recommendation for alpha-methyl-cis-aconitate flavor usage levels up to:   not for flavor use.   Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :3080625 National Institute of Allergy and Infectious Diseases:Data (Z)-but-2-ene-1,2,3-tricarboxylic acid Chemidplus:0006061934   References:   (Z)-but-2-ene-1,2,3-tricarboxylic acid NIST Chemistry WebBook: Search Inchi Pubchem (cid): 3080625 Pubchem (cas): 6061-93-4   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements CHEBI: View KEGG (GenomeNet): C04225 HMDB (The Human Metabolome Database): HMDB06357 FooDB: FDB023904 YMDB (Yeast Metabolome Database): YMDB00380 ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   not found in nature   Synonyms: (Z)- but-2-ene-1,2,3-tricarboxylic acid cis-2- butene-1,2,3-tricarboxylic acid 2- butene-1,2,3-tricarboxylic acid, (Z)- alpha- methyl aconitate   Articles:   None found yet. Try the PubMed Search.

Notes: cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742) [HMDB]

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