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Concept information

Preferred term

AAL Toxin TA1  

Type

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

charge

  • 0

formula

  • C25H47NO10

inchi

  • InChI=1S/C25H47NO10/c1-4-16(3)24(33)21(36-23(32)12-17(25(34)35)11-22(30)31)10-15(2)8-6-5-7-9-19(28)20(29)13-18(27)14-26/h15-21,24,27-29,33H,4-14,26H2,1-3H3,(H,30,31)(H,34,35)/t15-,16+,17+,18-,19+,20-,21-,24+/m0/s1

inchikey

  • YKGILJZVMMTMQS-YIEPZGSCSA-N

mass

  • 521.648

monoisotopicmass

  • 521.32000

smiles

  • O=C(O)[C@@H](CC(=O)O[C@H]([C@H](O)[C@@H](CC)C)C[C@H](CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)C)CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[2-[(3R,4R,5S,7S,13R,14S,16S)-17-amino-4,13,14,16-tetrahydroxy-3,7-dimethylheptadecan-5-yl]oxy-2-oxoethyl]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219270

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