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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 > carboxamide > peptide > [d-asp3,dmadda5]mc-la
organooxygen compound > carboxamide > peptide > [d-asp3,dmadda5]mc-la
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > [d-asp3,dmadda5]mc-la
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > [d-asp3,dmadda5]mc-la
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > [d-asp3,dmadda5]mc-la

Preferred term

[d-asp3,dmadda5]mc-la  

Type

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

Broader concept

charge

  • 0

formula

  • C44H63N7O12

inchi

  • InChI=1S/C44H63N7O12/c1-23(2)19-33-42(59)50-34(44(62)63)22-36(53)45-27(6)39(56)47-31(16-15-24(3)20-25(4)35(52)21-30-13-11-10-12-14-30)26(5)38(55)48-32(43(60)61)17-18-37(54)51(9)29(8)41(58)46-28(7)40(57)49-33/h10-16,20,23,25-28,31-35,52H,8,17-19,21-22H2,1-7,9H3,(H,45,53)(H,46,58)(H,47,56)(H,48,55)(H,49,57)(H,50,59)(H,60,61)(H,62,63)/b16-15+,24-20+/t25-,26-,27-,28+,31-,32+,33-,34+,35-/m0/s1

inchikey

  • YEECPBMSOJOCFK-BSBXEUFZSA-N

mass

  • 882.025

monoisotopicmass

  • 881.45347

smiles

  • O=C1N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)CC(=O)N[C@@H](C)C(N[C@H]([C@@H](C(N[C@H](CCC(N(C1=C)C)=O)C(=O)O)=O)C)/C=C/C(=C/[C@@H]([C@@H](O)CC2=CC=CC=C2)C)/C)=O)CC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,15,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:220760

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