Showing metabocard for (2Z,4Z)-2-amino-3-carboxymuconic acid 6-semialdehyde (MMDBc0054871)
Record Information | |||||||||||||
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Version | 1.0 | ||||||||||||
Status | Detected and Quantified | ||||||||||||
Creation Date | 2022-06-17 19:36:46 UTC | ||||||||||||
Update Date | 2022-08-12 20:09:07 UTC | ||||||||||||
Metabolite ID | MMDBc0054871 | ||||||||||||
Metabolite Identification | |||||||||||||
Common Name | (2Z,4Z)-2-amino-3-carboxymuconic acid 6-semialdehyde | ||||||||||||
Description | cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-), also known as (2Z,4Z)-2-amino-3-carboxymuconate 6-semialdehyde or (2Z)-2-ammonio-3-[(1Z)-3-oxoprop-1-en-1-yl]but-2-enedioic acid, belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-) is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on cis,cis-2-ammonio-3-(3-oxoprop-1-enyl)but-2-enedioate(1-). | ||||||||||||
Structure | |||||||||||||
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Molecular Formula | C7H6NO5 | ||||||||||||
Average Mass | 184.128 | ||||||||||||
Monoisotopic Mass | 184.025145877 | ||||||||||||
IUPAC Name | (2Z,3Z)-2-[amino(carboxy)methylidene]-5-oxopent-3-enoate | ||||||||||||
Traditional Name | (2Z,3Z)-2-[amino(carboxy)methylidene]-5-oxopent-3-enoate | ||||||||||||
CAS Registry Number | Not Available | ||||||||||||
SMILES | [H]\C(C=O)=C(/[H])\C(\C([O-])=O)=C(\N)C(O)=O | ||||||||||||
InChI Identifier | InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)/p-1/b2-1-,5-4- | ||||||||||||
InChI Key | KACPVQQHDVBVFC-OIFXTYEKSA-M | ||||||||||||
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