Phomamide (CHEBI:218115)

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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	Phomamide

ChEBI ID	CHEBI:218115

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22N2O4

Net Charge

Average Mass

318.373

Monoisotopic Mass

318.15796

InChI

InChI=1S/C17H22N2O4/c1-11(2)7-8-23-13-5-3-12(4-6-13)9-14-16(21)19-15(10-20)17(22)18-14/h3-7,14-15,20H,8-10H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1

InChIKey

KRLKPTMEUFJHKD-GJZGRUSLSA-N

SMILES

O=C1N[C@H](C(=O)N[C@H]1CO)CC2=CC=C(OCC=C(C)C)C=C2

Metabolite of Species	Details
Plenodomus lingam (NCBI:txid5022)	See: DOI

ChEBI Ontology
Outgoing	Phomamide (CHEBI:218115) has functional parent α-amino acid (CHEBI:33704) Phomamide (CHEBI:218115) is a organonitrogen compound (CHEBI:35352) Phomamide (CHEBI:218115) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(3S,6S)-3-(hydroxymethyl)-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,5-dione