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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 te1
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > aal toxin te1
... > 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 te1
... > 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 te1
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > aal toxin te1

Preferred term

aal toxin te1  

Type

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

Broader concept

charge

  • 0

formula

  • C27H49NO9

inchi

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

inchikey

  • XRIPCOGRCJFLJK-UHFFFAOYSA-N

mass

  • 531.687

monoisotopicmass

  • 531.34073

smiles

  • O(C(CC(CCCCCCCCC(O)CNC(=O)C)C)C(O)C(CC)C)C(=O)CC(CC(O)=O)C(O)=O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189386

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