(-)-acrozine B (CHEBI:210607)

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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	(-)-acrozine B

ChEBI ID	CHEBI:210607

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H19N3O4S

Net Charge

Average Mass

349.410

Monoisotopic Mass

349.10963

InChI

InChI=1S/C16H19N3O4S/c1-23-19-13(9-20)14(21)18-16(24-2,15(19)22)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,13,17,20H,7,9H2,1-2H3,(H,18,21)/t13-,16-/m1/s1

InChIKey

URSNEXGMZBGKLE-CZUORRHYSA-N

SMILES

S([C@]1(NC(=O)[C@@H](CO)N(C1=O)OC)CC=2C3=C(C=CC=C3)NC2)C

Metabolite of Species	Details
Acrostalagmus (NCBI:txid461148)	See: PubMed

ChEBI Ontology
Outgoing	(-)-acrozine B (CHEBI:210607) has functional parent α-amino acid (CHEBI:33704) (-)-acrozine B (CHEBI:210607) is a organonitrogen compound (CHEBI:35352) (-)-acrozine B (CHEBI:210607) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(3R,6R)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-methylsulanylpiperazine-2,5-dione