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CHEBI:218132 - Mycoediketopiperazine

ChEBI IDCHEBI:218132
ChEBI NameMycoediketopiperazine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O6S2
Net Charge0
Average Mass450.538
Monoisotopic Mass450.09193
SMILESCS[C@@]12CC3=C[C@H](O)[C@@H]4O[C@@H]4[C@H]3N1C(=O)[C@]1(SC)CC3=C[C@H](O)[C@@H]4O[C@@H]4[C@H]3N1C2=O
InChIInChI=1S/C20H22N2O6S2/c1-29-19-5-7-3-9(23)13-15(27-13)11(7)21(19)18(26)20(30-2)6-8-4-10(24)14-16(28-14)12(8)22(20)17(19)25/h3-4,9-16,23-24H,5-6H2,1-2H3/t9-,10-,11-,12-,13-,14-,15+,16+,19+,20+/m0/s1
InChIKeyOEIROMRXQGXKHD-QMRLQHLMSA-N
ChEBI Ontology
Outgoing Relation(s)
Mycoediketopiperazine (CHEBI:218132) has functional parent α-amino acid (CHEBI:33704)
Mycoediketopiperazine (CHEBI:218132) is a organonitrogen compound (CHEBI:35352)
Mycoediketopiperazine (CHEBI:218132) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-8,19-dihydroxy-1,12-bis(methylsulanyl)-6,17-dioxa-3,14-diazaheptacyclo[12.8.0.03,12.04,10.05,7.015,21.016,18]docosa-9,20-diene-2,13-dione
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