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Concept information

Preferred term

DKxanthene 556  

Type

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

charge

  • 0

formula

  • C32H36N4O5

inchi

  • InChI=1S/C32H36N4O5/c1-24(31(38)36-28(32(39)40)23-29(33)37)17-14-12-10-8-6-4-3-5-7-9-11-13-15-19-27-25(2)41-30(35-27)21-20-26-18-16-22-34-26/h3-22,25,27-28,34H,23H2,1-2H3,(H2,33,37)(H,36,38)(H,39,40)/b5-3+,6-4+,9-7+,10-8+,13-11+,14-12+,19-15+,21-20+,24-17+/t25-,27-,28?/m1/s1

inchikey

  • JGWQTBBYPIXQNM-XUYNYAPBSA-N

mass

  • 556.663

monoisotopicmass

  • 556.26857

smiles

  • O=C(NC(C(=O)O)CC(=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

subset

  • 2_STAR

synonym EXACT

  • 4-amino-2-[[(2E,4E,6E,8E,10E,12E,14E,16E)-2-methyl-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]-4-oxobutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221797

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