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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 > dkxanthene 586

Preferred term

dkxanthene 586  

Type

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

Broader concept

charge

  • 0

formula

  • C33H38N4O6

inchi

  • InChI=1S/C33H38N4O6/c1-23(22-27-25(3)43-28(36-27)20-19-26-18-15-21-35-26)16-13-11-9-7-5-4-6-8-10-12-14-17-24(2)32(40)37-29(33(41)42)30(38)31(34)39/h4-22,25,27,29-30,35,38H,1-3H3,(H2,34,39)(H,37,40)(H,41,42)/b6-4+,7-5+,10-8+,11-9+,14-12+,16-13+,20-19+,23-22+,24-17+/t25-,27-,29?,30?/m1/s1

inchikey

  • GPQNFPNWHXLGOB-ZRFBTFENSA-N

mass

  • 586.689

monoisotopicmass

  • 586.27913

smiles

  • O=C(NC(C(=O)O)C(O)C(=O)N)/C(=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=C/[C@H]1N=C(/C=C/C=2NC=CC2)O[C@@H]1C)/C)/C

subset

  • 2_STAR

synonym EXACT

  • 4-amino-2-[[(2E,4E,6E,8E,10E,12E,14E,16E)-2,16-dimethyl-17-[(4R,5R)-5-methyl-2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl]heptadeca-2,4,6,8,10,12,14,16-octaenoyl]amino]-3-hydroxy-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213976

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