Saroclazine C (CHEBI:218551)

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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	Saroclazine C

ChEBI ID	CHEBI:218551

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H22N2O4

Net Charge

Average Mass

330.384

Monoisotopic Mass

330.15796

InChI

InChI=1S/C18H22N2O4/c1-12(2)9-10-24-14-7-5-13(6-8-14)11-15-16(21)20(4)18(23)17(22)19(15)3/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1

InChIKey

ZXSMKBNYRITJGY-HNNXBMFYSA-N

SMILES

O=C1N(C(=O)[C@H](CC2=CC=C(OCC=C(C)C)C=C2)N(C1=O)C)C

Metabolite of Species	Details
Sarocladium (NCBI:txid284134)	See: PubMed

ChEBI Ontology
Outgoing	Saroclazine C (CHEBI:218551) has functional parent α-amino acid (CHEBI:33704) Saroclazine C (CHEBI:218551) is a organonitrogen compound (CHEBI:35352) Saroclazine C (CHEBI:218551) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(6S)-1,4-dimethyl-6-[[4-(3-methylbut-2-enoxy)phenyl]methyl]piperazine-2,3,5-trione