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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbonyl compound > aal toxin tb1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > aal toxin tb1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbonyl compound > aal toxin tb1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > aal toxin tb1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > aal toxin tb1

Preferred term

aal toxin tb1  

Type

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

Broader concept

charge

  • 0

formula

  • C25H47NO9

inchi

  • InChI=1S/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)/t16-,17+,18+,19+,20-,21-,24+/m0/s1

inchikey

  • CTXQVLLVFBNZKL-NMKPKAMASA-N

mass

  • 505.649

monoisotopicmass

  • 505.32508

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[2-[(3R,4R,5S,7S,14R,16S)-17-amino-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:199450

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