| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:04:25 UTC |
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| Update Date | 2025-03-24 21:54:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01929974 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C41H41N5O16S |
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| Molecular Mass | 891.2269 |
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| SMILES | NC(CSCC1=C(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5CC(=O)O)C(CCC(=O)O)=C4CC(=O)O)c(CCC(=O)O)c3CC(=O)O)C(=O)O |
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| InChI Key | MPEPADXVAVQBLD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrapyrroles and derivatives |
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| Subclass | metallotetrapyrroles |
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| Direct Parent | metallotetrapyrroles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmetallotetrapyrrole skeletonsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic oxygen compoundthioethercysteine or derivativespyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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