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Fusarin PM1

  • Formula: C22H27NO7

  • Molecular weight: 417.50

  • Smiles: CC=C(C=C(C)C=C(C)C=CC=C(C)C(=O)C12C(O1)C(NC2=O)(CCO)O)C(=O)O

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Fusarin PM1

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Fusarin PM1

  • First synonym: None

  • Synonyms: Fusarin PM(sub 1),Fusarin PM1,114661-56-2,3,5,7,9-Undecatetraenoic acid, 2-ethylidene-11-(4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo(3.1.0)hex-1-yl)-11-oxo-4,6,10-trimethyl-, (1R-(1-alpha(2E,3E,5E,7E,9E),4-alpha,5-alpha))-

Identifiers / External links

  • CAS: 114661-56-2

  • PubChem CID: 6440148

Structure

  • Smiles: CC=C(C=C(C)C=C(C)C=CC=C(C)C(=O)C12C(O1)C(NC2=O)(CCO)O)C(=O)O

  • Isomeric smiles: C/C=C(/C=C(\C)/C=C(\C)/C=C/C=C(\C)/C(=O)[C@@]12[C@H](O1)[C@](NC2=O)(CCO)O)\C(=O)O

  • Inchi: InChI=1S/C22H27NO7/c1-5-16(18(26)27)12-14(3)11-13(2)7-6-8-15(4)17(25)22-19(30-22)21(29,9-10-24)23-20(22)28/h5-8,11-12,19,24,29H,9-10H2,1-4H3,(H,23,28)(H,26,27)/b7-6+,13-11+,14-12+,15-8+,16-5-/t19-,21+,22+/m1/s1

  • Inchikey: XHUWOZSYNQDIPZ-WYOBEYTMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H27NO7

  • Molecular weight: 417.50

  • Monoisotopic mass: 417.1787522

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