| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:34:34 UTC |
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| Update Date | 2025-03-21 17:56:40 UTC |
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| HMDB ID | HMDB0029603 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002809 |
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| Name | Pentane |
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| Frequency | 2108.0 |
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| Structure | |
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| Chemical Formula | C5H12 |
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| Molecular Mass | 72.0939 |
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| SMILES | CCCCC |
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| InChI Key | OFBQJSOFQDEBGM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | hydrocarbons |
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| Class | saturated hydrocarbons |
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| Subclass | alkanes |
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| Direct Parent | alkanes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | Not Available |
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| Substituents | aliphatic acyclic compoundalkaneacyclic alkane |
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