CHEBI:198733 - Maremycin C2

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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 Maremycin C2
ChEBI ID CHEBI:198733
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H21N3O5S
Net Charge 0
Average Mass 379.430
Monoisotopic Mass 379.12019
InChI InChI=1S/C17H21N3O5S/c1-9(13-15(22)18-11(8-26(3)25)14(21)19-13)17(24)10-6-4-5-7-12(10)20(2)16(17)23/h4-7,9,11,13,24H,8H2,1-3H3,(H,18,22)(H,19,21)/t9-,11-,13+,17+,26-/m1/s1
InChIKey SRLGBQOCPROCJP-OBMYQFOGSA-N
SMILES [S@](=O)(C[C@H]1NC(=O)[C@H]([C@H]([C@@]2(O)C(=O)N(C)C3=C2C=CC=C3)C)NC1=O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Maremycin C2 (CHEBI:198733) is a indoles (CHEBI:24828)
IUPAC Name
(3S,6S)-3-[(1R)-1-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]ethyl]-6-[[(S)-methylsulinyl]methyl]piperazine-2,5-dione
Manual Xref Database
78440746 ChemSpider
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