Saroclazine B (CHEBI:218562)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 B

ChEBI ID	CHEBI:218562

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H26N2O3S2

Net Charge

Average Mass

394.550

Monoisotopic Mass

394.13849

InChI

InChI=1S/C19H26N2O3S2/c1-13(2)10-11-24-15-8-6-14(7-9-15)12-19(26-5)18(23)21(3)17(25-4)16(22)20-19/h6-10,17H,11-12H2,1-5H3,(H,20,22)/t17-,19-/m1/s1

InChIKey

KYNWNEIOVRAUFT-IEBWSBKVSA-N

SMILES

S([C@]1(NC(=O)[C@@H](SC)N(C1=O)C)CC2=CC=C(OCC=C(C)C)C=C2)C

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

ChEBI Ontology
Outgoing	Saroclazine B (CHEBI:218562) has functional parent α-amino acid (CHEBI:33704) Saroclazine B (CHEBI:218562) is a organonitrogen compound (CHEBI:35352) Saroclazine B (CHEBI:218562) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(3R,6R)-1-methyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulanyl)piperazine-2,5-dione