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Concept information

Preferred term

بولتوکروسین C  

Type

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

charge

  • 0

formula

  • C22H28N2O8

inchi

  • InChI=1S/C22H28N2O8/c1-3-15(2)20(22(31)32)24-18(26)13-11-9-7-5-4-6-8-10-12-17(25)23-16(21(29)30)14-19(27)28/h4-13,15-16,20H,3,14H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)(H,31,32)/b5-4+,8-6+,9-7+,12-10+,13-11+/t15-,16-,20-/m0/s1

inchikey

  • YTWNEOFIUIUJTG-PVVCQKLLSA-N

mass

  • 448.472

monoisotopicmass

  • 448.18457

smiles

  • O=C(N[C@H](C(=O)O)[C@H](CC)C)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@H](C(=O)O)CC(=O)O

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[[(2E,4E,6E,8E,10E)-12-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-12-oxododeca-2,4,6,8,10-pentaenoyl]amino]butanedioic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210421

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