CHEBI:224173 - Phaeosphaone B

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ChEBI Name Phaeosphaone B
ChEBI ID CHEBI:224173
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H27N3O3S2
Net Charge 0
Average Mass 421.570
Monoisotopic Mass 421.14938
InChI InChI=1S/C20H27N3O3S2/c1-12(2)20(28-6)17(24)22-19(26-4,18(25)23(20)3)16(27-5)14-11-21-15-10-8-7-9-13(14)15/h7-12,16,21H,1-6H3,(H,22,24)/t16-,19+,20+/m1/s1
InChIKey MMJIEYVVWHZRDB-UXPWSPDFSA-N
SMILES S([C@@]1(N(C(=O)[C@@](OC)([C@H](SC)C=2C3=C(C=CC=C3)NC2)NC1=O)C)C(C)C)C
Metabolite of Species Details
Phaeosphaeria fuckelii (NCBI:txid178153) See: PubMed
ChEBI Ontology
Outgoing Phaeosphaone B (CHEBI:224173) has functional parent α-amino acid (CHEBI:33704)
Phaeosphaone B (CHEBI:224173) is a organonitrogen compound (CHEBI:35352)
Phaeosphaone B (CHEBI:224173) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3R,6S)-3-[(R)-1H-indol-3-yl(methylsulanyl)methyl]-3-methoxy-1-methyl-6-methylsulanyl-6-propan-2-ylpiperazine-2,5-dione