MCA17-1 (CHEBI:222092)

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CHEBI:222092 - MCA17-1

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ChEBI ID	CHEBI:222092
ChEBI Name	MCA17-1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H15NO5
Net Charge	0
Average Mass	277.276
Monoisotopic Mass	277.09502
SMILES	C/C=C/C=C/C=C/C(O)=C1\C(=O)N[C@@H](CC(=O)O)C1=O
InChI	InChI=1S/C14H15NO5/c1-2-3-4-5-6-7-10(16)12-13(19)9(8-11(17)18)15-14(12)20/h2-7,9,16H,8H2,1H3,(H,15,20)(H,17,18)/b3-2+,5-4+,7-6+,12-10+/t9-/m0/s1
InChIKey	VUKQFOBCWCOKLO-FTQWZCPCSA-N

Species of Metabolite	Component	Source	Comments
Calcarisporium (ncbitaxon:150368)	-	PubMed (34542281)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	MCA17-1 (CHEBI:222092) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
2-[(2S,4E)-4-[(2E,4E,6E)-1-hydroxyocta-2,4,6-trienylidene]-3,5-dioxopyrrolidin-2-yl]acetic acid