Tumonoic acid K (CHEBI:218602)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Tumonoic acid K

ChEBI ID	CHEBI:218602

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H27NO4

Net Charge

Average Mass

309.406

Monoisotopic Mass

309.19401

InChI

InChI=1S/C17H27NO4/c1-4-5-6-7-8-11-15(19)13(2)16(20)18-12-9-10-14(18)17(21)22-3/h4-5,13-14H,6-12H2,1-3H3/b5-4+/t13?,14-/m0/s1

InChIKey

DOXJLUOLFLRQHW-FNWUMVNLSA-N

SMILES

O=C(OC)[C@H]1N(C(=O)C(C(=O)CCCC/C=C/C)C)CCC1

Metabolite of Species	Details
Penicillium citrinum (NCBI:txid5077)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Tumonoic acid K (CHEBI:218602) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name

methyl (2S)-1-[(E)-2-methyl-3-oxodec-8-enoyl]pyrrolidine-2-carboxylate