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Chemistry, part 1

Content language

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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 > carboxamide > peptide > burkholidine 1213
organooxygen compound > carboxamide > peptide > burkholidine 1213
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > burkholidine 1213
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > burkholidine 1213
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > burkholidine 1213

Preferred term

burkholidine 1213  

Type

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

Broader concept

charge

  • 0

formula

  • C52H83N11O22

inchi

  • InChI=1S/C52H83N11O22/c1-3-4-5-6-7-8-9-10-11-12-33(85-52-44(76)42(74)32(67)23-84-52)41(73)31(66)17-26-18-36(70)57-24(2)46(78)62-38(40(72)25-13-15-27(65)16-14-25)51(83)60-28(19-34(53)68)47(79)56-21-37(71)59-29(20-35(54)69)48(80)61-30(22-64)49(81)63-39(50(82)58-26)43(75)45(55)77/h13-16,24,26,28-33,38-44,52,64-67,72-76H,3-12,17-23H2,1-2H3,(H2,53,68)(H2,54,69)(H2,55,77)(H,56,79)(H,57,70)(H,58,82)(H,59,71)(H,60,83)(H,61,80)(H,62,78)(H,63,81)/t24?,26-,28-,29+,30+,31-,32-,33+,38-,39+,40-,41-,42+,43+,44-,52-/m1/s1

inchikey

  • CKFPSWLWNVGXOH-IEYJUNIOSA-N

mass

  • 1214.291

monoisotopicmass

  • 1213.57141

smiles

  • O=C1N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](CC(NC(C(N[C@@H]1[C@H](O)C2=CC=C(O)C=C2)=O)C)=O)C[C@@H](O)[C@@H](O)[C@@H](O[C@H]3OC[C@@H](O)[C@@H]([C@H]3O)O)CCCCCCCCCCC)=O)[C@H](O)C(=O)N)CO)CC(=O)N)CC(=O)N

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(3S,6S,9S,15R,18R,25R)-9,15-bis(2-amino-2-oxoethyl)-25-[(2R,3R,4S)-2,3-dihydroxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentadecyl]-18-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-6-(hydroxymethyl)-21-methyl-2,5,8,11,14,17,20,23-octaoxo-1,4,7,10,13,16,19,22-octazacyclopentacos-3-yl]-2-hydroxyacetamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212419

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