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Concept information

Preferred term

AAL Toxin Te2  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C27H49NO9

inchi

  • InChI=1S/C27H49NO9/c1-5-19(3)26(37-25(34)16-21(27(35)36)15-24(32)33)23(31)14-18(2)12-10-8-6-7-9-11-13-22(30)17-28-20(4)29/h18-19,21-23,26,30-31H,5-17H2,1-4H3,(H,28,29)(H,32,33)(H,35,36)/t18-,19+,21+,22-,23-,26+/m0/s1

inchikey

  • QTIJREXVLUELSX-IGLGTWCISA-N

mass

  • 531.687

monoisotopicmass

  • 531.34073

smiles

  • O=C(O)[C@@H](CC(=O)O[C@@H]([C@@H](O)C[C@H](CCCCCCCC[C@H](O)CNC(=O)C)C)[C@@H](CC)C)CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[2-[(3R,4R,5S,7S,16S)-17-acetamido-5,16-dihydroxy-3,7-dimethylheptadecan-4-yl]oxy-2-oxoethyl]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225489

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