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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > asparagine derivative > lipoamicoumacin a

Preferred term

lipoamicoumacin a  

Type

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

Broader concept

charge

  • 0

formula

  • C36H54N4O10

inchi

  • InChI=1S/C36H54N4O10/c1-20(2)12-9-7-5-6-8-10-15-29(43)38-25(18-28(37)42)34(46)40-24-19-30(44)50-33(24)32(45)35(47)39-23(16-21(3)4)27-17-22-13-11-14-26(41)31(22)36(48)49-27/h11,13-14,20-21,23-25,27,32-33,41,45H,5-10,12,15-19H2,1-4H3,(H2,37,42)(H,38,43)(H,39,47)(H,40,46)/t23-,24-,25-,27-,32-,33-/m0/s1

inchikey

  • ZHYMLVQZKWNBCJ-NXHPLVHXSA-N

mass

  • 702.846

monoisotopicmass

  • 702.38399

smiles

  • O=C1O[C@H]([C@@H](NC(=O)[C@@H](O)[C@H]2OC(=O)C[C@@H]2NC(=O)[C@@H](NC(=O)CCCCCCCCC(C)C)CC(=O)N)CC(C)C)CC=3C1=C(O)C=CC3

subset

  • 2_STAR

synonym EXACT

  • (2S)-N-[(2S,3S)-2-[(1S)-1-hydroxy-2-[[(1S)-1-[(3S)-8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl]-3-methylbutyl]amino]-2-oxoethyl]-5-oxooxolan-3-yl]-2-(10-methylundecanoylamino)butanediamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198966

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