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Concept information

Preferred term

AAL Toxin Td1  

Type

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

charge

  • 0

formula

  • C27H49NO10

inchi

  • InChI=1S/C27H49NO10/c1-5-18(3)26(35)23(38-25(34)14-20(27(36)37)13-24(32)33)12-17(2)10-8-6-7-9-11-21(30)15-22(31)16-28-19(4)29/h17-18,20-23,26,30-31,35H,5-16H2,1-4H3,(H,28,29)(H,32,33)(H,36,37)/t17-,18+,20+,21+,22-,23-,26?/m0/s1

inchikey

  • QEQNOUGFCMZARY-VPPSHALWSA-N

mass

  • 547.686

monoisotopicmass

  • 547.33565

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[2-[(3R,5S,7S,14R,16S)-17-acetamido-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl]oxy-2-oxoethyl]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225911

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