Record Information |
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Version | 2.0 |
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Created at | 2022-09-12 13:40:56 UTC |
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Updated at | 2022-09-12 13:40:56 UTC |
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NP-MRD ID | NP0329365 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | methyl (4z,41e)-43-hydroxypentatetraconta-4,41-dien-2,44-diynoate |
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Description | Petroformyne B belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. methyl (4z,41e)-43-hydroxypentatetraconta-4,41-dien-2,44-diynoate is found in Petrosia ficiformis. It was first documented in 2022 (PMID: 36130816). Based on a literature review a significant number of articles have been published on petroformyne B (PMID: 36130676) (PMID: 36130776) (PMID: 36130755) (PMID: 36130745). |
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Structure | COC(=O)C#C\C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C#C InChI=1S/C46H80O3/c1-3-45(47)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46(48)49-2/h1,38,40-41,43,45,47H,4-37,39H2,2H3/b40-38-,43-41+ |
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Synonyms | Not Available |
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Chemical Formula | C46H80O3 |
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Average Mass | 681.1430 Da |
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Monoisotopic Mass | 680.61075 Da |
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IUPAC Name | methyl (4Z,41E)-43-hydroxypentatetraconta-4,41-dien-2,44-diynoate |
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Traditional Name | methyl (4Z,41E)-43-hydroxypentatetraconta-4,41-dien-2,44-diynoate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)C#C\C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C#C |
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InChI Identifier | InChI=1S/C46H80O3/c1-3-45(47)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46(48)49-2/h1,38,40-41,43,45,47H,4-37,39H2,2H3/b40-38-,43-41+ |
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InChI Key | WHFLYKLRNGEAAN-ABYUSAJBSA-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 | Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty alcohols |
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Direct Parent | Fatty alcohols |
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Alternative Parents | |
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Substituents | - Fatty alcohol
- Fatty acid ester
- Methyl ester
- Ynoate ester
- Alpha,beta-unsaturated carboxylic ester
- Carboxylic acid ester
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Acetylide
- Carboxylic acid derivative
- Organooxygen compound
- Organic oxygen compound
- Alcohol
- Carbonyl group
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic 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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General References | - Thakkar SV, Rodrigues D, Zhai B, Banton D, Somani S, Javidi A, Mahan A, Ember S, DeGrazio D, Ganguly S, Amin K, Nanda H: Residue-Specific Impact of EDTA and Methionine on Protein Oxidation in Biotherapeutics Formulations Using an Integrated Biotherapeutics Drug Product Development Workflow. J Pharm Sci. 2022 Sep 18. pii: S0022-3549(22)00411-7. doi: 10.1016/j.xphs.2022.09.011. [PubMed:36130676 ]
- Ghoraba HH, Matsumiya W, Or C, Khojasteh H, Patel P, Karaca I, Regenold J, Zaidi M, Hwang J, Lajevardi S, Yavari N, Than NTT, Park SW, Akhavanrezayat A, Uludag G, Yasar C, Leung LB, Nguyen QD: Electroretinographic findings in retinal vasculitis. Br J Ophthalmol. 2022 Sep 21. pii: bjo-2022-321716. doi: 10.1136/bjo-2022-321716. [PubMed:36130816 ]
- Daniels B, Spooner E, Coutsoudis A: Getting to under 1% vertical HIV transmission: lessons from a breastfeeding cohort in South Africa. BMJ Glob Health. 2022 Sep;7(9). pii: bmjgh-2022-009927. doi: 10.1136/bmjgh-2022-009927. [PubMed:36130776 ]
- Dirikgil E, van Leeuwen JR, Bredewold OW, Ray A, Jonker JT, Soonawala D, Remmelts HHF, van Dam B, Bos WJ, van Kooten C, Rotmans J, Rabelink T, Teng YKO: ExploriNg DUrable Remission with Rituximab in ANCA-associatEd vasculitis (ENDURRANCE trial): protocol for a randomised controlled trial. BMJ Open. 2022 Sep 21;12(9):e061339. doi: 10.1136/bmjopen-2022-061339. [PubMed:36130755 ]
- Hewson DW, Nightingale J, Ogollah R, Ollivere BJ, Costa ML, Craxford S, Bates P, Bedforth NM: Erector Spinae Plane Blocks for the Early Analgesia of Rib Fractures in Trauma (ESPEAR): protocol for a multicentre pilot randomised controlled trial with feasibility and embedded qualitative assessment. BMJ Open. 2022 Sep 21;12(9):e062935. doi: 10.1136/bmjopen-2022-062935. [PubMed:36130745 ]
- LOTUS database [Link]
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