CHEBI:203114 - Cyclomarazine B

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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 B
ChEBI ID CHEBI:203114
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H29N3O3
Net Charge 0
Average Mass 383.492
Monoisotopic Mass 383.22089
InChI InChI=1S/C22H29N3O3/c1-5-22(3,4)25-12-15(16-8-6-7-9-19(16)25)11-18-21(28)23-17(20(27)24-18)10-14(2)13-26/h5-9,12,14,17-18,26H,1,10-11,13H2,2-4H3,(H,23,28)(H,24,27)/t14-,17+,18+/m1/s1
InChIKey RDOMJBDZWXNXPA-JLSDUUJJSA-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
Metabolite of Species Details
Salinispora arenicola CNS-205 (NCBI:txid391037) See: PubMed
ChEBI Ontology
Outgoing Cyclomarazine B (CHEBI:203114) has functional parent α-amino acid (CHEBI:33704)
Cyclomarazine B (CHEBI:203114) is a organonitrogen compound (CHEBI:35352)
Cyclomarazine B (CHEBI:203114) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6S)-3-[(2R)-3-hydroxy-2-methylpropyl]-6-[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]piperazine-2,5-dione
Manual Xref Database
24604836 ChemSpider
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