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

Preferred term

zelkovamycin c  

Type

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

Broader concept

charge

  • 0

formula

  • C36H45N9O10S

inchi

  • InChI=1S/C36H45N9O10S/c1-8-20-30(50)41-21(9-2)34(53)45(6)15-27(49)39-17(3)33-43-24(16-56-33)31(51)42-23(12-19-13-37-22-10-11-25(47)29(55-7)28(19)22)32(52)44-36(5,18(4)46)35(54)38-14-26(48)40-20/h9-11,13,16-17,20,23,37,47H,8,12,14-15H2,1-7H3,(H,38,54)(H,39,49)(H,40,48)(H,41,50)(H,42,51)(H,44,52)/b21-9-/t17-,20-,23+,36+/m1/s1

inchikey

  • OORNONOEAPJBHY-IXVWJLNKSA-N

mass

  • 795.870

monoisotopicmass

  • 795.30101

smiles

  • S1C2=NC(=C1)C(=O)N[C@H](C(=O)N[C@](C(=O)NCC(=O)N[C@@H](C(N/C(/C(N(CC(N[C@@H]2C)=O)C)=O)=C/C)=O)CC)(C(=O)C)C)CC=3C4=C(OC)C(O)=CC=C4NC3

subset

  • 2_STAR

synonym EXACT

  • (4S,7S,13R,16Z,22R)-7-acetyl-13-ethyl-16-ethylidene-4-[(5-hydroxy-4-methoxy-1H-indol-3-yl)methyl]-7,18,22-trimethyl-24-thia-3,6,9,12,15,18,21,26-octazabicyclo[21.2.1]hexacosa-1(25),23(26)-diene-2,5,8,11,14,17,20-heptone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217262

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