CHEBI:223659 - 2-acetamido-3-[[(1S,3S)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulanyl]propanoic acid

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ChEBI Name 2-acetamido-3-[[(1S,3S)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulanyl]propanoic acid
ChEBI ID CHEBI:223659
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H32N2O9S
Net Charge 0
Average Mass 548.610
Monoisotopic Mass 548.18285
InChI InChI=1S/C26H32N2O9S/c1-11(2)5-6-17-19-13(7-14(37-17)9-18(30)31)8-15-20(23(19)33)24(34)25(21(27-4)22(15)32)38-10-16(26(35)36)28-12(3)29/h8,11,14,16-17,27,33H,5-7,9-10H2,1-4H3,(H,28,29)(H,30,31)(H,35,36)/t14-,16?,17-/m0/s1
InChIKey OGFKCFDHVVBHKQ-NZEUDUFCSA-N
SMILES S(C1=C(NC)C(=O)C=2C=C3C[C@@H](CC(=O)O)O[C@H](C3=C(C2C1=O)O)CCC(C)C)CC(NC(=O)C)C(=O)O
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
ChEBI Ontology
Outgoing 2-acetamido-3-[[(1S,3S)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulanyl]propanoic acid (CHEBI:223659) is a quinone (CHEBI:36141)
IUPAC Name
2-acetamido-3-[[(1S,3S)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-8-yl]sulanyl]propanoic acid
Manual Xref Database
78440298 ChemSpider
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