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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 > 2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbonyl compound > 2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid
... > 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 > 2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > 2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid

Preferred term

2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H53NO10

inchi

  • InChI=1S/C30H53NO10/c1-6-7-13-20(3)29(38)26(41-28(37)17-23(30(39)40)16-27(35)36)15-19(2)12-10-8-9-11-14-24(33)18-25(34)21(4)31-22(5)32/h19-21,23-26,33-34H,6-18H2,1-5H3,(H,31,32)(H,35,36)(H,39,40)

inchikey

  • CYKDMNNWBMLNSF-UHFFFAOYSA-N

mass

  • 587.751

monoisotopicmass

  • 587.36695

smiles

  • O(C(CC(CCCCCCC(O)CC(O)C(NC(=O)C)C)C)C(=O)C(CCCC)C)C(=O)CC(CC(O)=O)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • 2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181007

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