CHEBI:202807 - Cyclomarazine A

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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 Cyclomarazine A
ChEBI ID CHEBI:202807
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C23H31N3O3
Net Charge 0
Average Mass 397.519
Monoisotopic Mass 397.23654
InChI InChI=1S/C23H31N3O3/c1-6-23(3,4)26-13-16(17-9-7-8-10-19(17)26)12-18-22(29)25(5)20(21(28)24-18)11-15(2)14-27/h6-10,13,15,18,20,27H,1,11-12,14H2,2-5H3,(H,24,28)/t15-,18+,20+/m1/s1
InChIKey ZWMSTQYVOXSQRE-BPAFIMBUSA-N
SMILES O=C1N([C@H](C(=O)N[C@H]1CC=2C3=C(C=CC=C3)N(C2)C(C=C)(C)C)C[C@H](CO)C)C
Metabolite of Species Details
Salinispora arenicola CNS-205 (NCBI:txid391037) See: PubMed
ChEBI Ontology
Outgoing Cyclomarazine A (CHEBI:202807) has functional parent α-amino acid (CHEBI:33704)
Cyclomarazine A (CHEBI:202807) is a organonitrogen compound (CHEBI:35352)
Cyclomarazine A (CHEBI:202807) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-6-[(2R)-3-hydroxy-2-methylpropyl]-1-methyl-3-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]piperazine-2,5-dione
Manual Xref Database
24604837 ChemSpider
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