| Record Information |
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| Version | 2.0 |
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| Created at | 2020-12-09 00:53:04 UTC |
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| Updated at | 2024-09-12 20:22:54 UTC |
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| NP-MRD ID | NP0003708 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Macrolactin I |
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| Provided By | NPAtlas |
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| Description | Macrolactin I belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Macrolactin I is found in Bacillus sp. PP19-H3. Macrolactin I was first documented in 2007 (PMID: 17844999). Based on a literature review very few articles have been published on Macrolactin I. |
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| Structure | [H]O[C@]1([H])\C([H])=C(/[H])\C(\[H])=C([H])\C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])\C([H])=C(/[H])\C(\[H])=C([H])\C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(\[H])/C(/[H])=C([H])/C1([H])[H])C([H])([H])[H] InChI=1/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8+,18-12-/t20-,21+,22-,23-/s2 |
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| Synonyms | Not Available |
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| Chemical Formula | C24H34O5 |
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| Average Mass | 402.5310 Da |
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| Monoisotopic Mass | 402.24062 Da |
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| IUPAC Name | (3Z,5E,8S,9E,11E,14S,16R,17E,19E,24S)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one |
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| Traditional Name | (3Z,5E,8S,9E,11E,14S,16R,17E,19E,24S)-8,14,16-trihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | [H]O[C@]1([H])\C([H])=C(/[H])\C(\[H])=C([H])\C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])\C([H])=C(/[H])\C(\[H])=C([H])\C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(OC(=O)\C([H])=C(\[H])/C(/[H])=C([H])/C1([H])[H])C([H])([H])[H] |
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| InChI Identifier | InChI=1/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5+,14-9+,16-8+,18-12-/t20-,21+,22-,23-/s2 |
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| InChI Key | XXDIJWSZFWZBRM-CMQZVCBLNA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Macrolides and analogues |
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| Sub Class | Not Available |
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| Direct Parent | Macrolides and analogues |
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| Alternative Parents | |
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| Substituents | - Macrolide
- Fatty alcohol ester
- Fatty acid ester
- Fatty acyl
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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