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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 > oligopeptide > dipeptide > (-)-caprazamycin a
... > organooxygen compound > carboxamide > peptide > oligopeptide > dipeptide > (-)-caprazamycin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > oligopeptide > dipeptide > (-)-caprazamycin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > oligopeptide > dipeptide > (-)-caprazamycin a
... > 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 > dipeptide > (-)-caprazamycin a

Preferred term

(-)-caprazamycin a  

Type

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

Broader concept

charge

  • 0

formula

  • C53H87N5O22

inchi

  • InChI=1S/C53H87N5O22/c1-9-10-11-12-13-14-15-16-17-18-19-20-30(75-34(60)23-28(2)24-35(61)78-52-47(73-8)46(72-7)43(71-6)29(3)74-52)25-36(62)76-32-27-56(4)38(48(67)57(5)37(32)50(68)69)44(80-51-42(66)39(63)31(26-54)77-51)45-40(64)41(65)49(79-45)58-22-21-33(59)55-53(58)70/h21-22,28-32,37-47,49,51-52,63-66H,9-20,23-27,54H2,1-8H3,(H,68,69)(H,55,59,70)/t28-,29+,30-,31+,32-,37-,38-,39+,40-,41+,42+,43+,44?,45-,46+,47+,49+,51-,52-/m0/s1

inchikey

  • JOXMICZHYUYJJD-AYLMBEEOSA-N

mass

  • 1146.292

monoisotopicmass

  • 1145.58427

smiles

  • O=C1N([C@H](C(=O)O)[C@@H](OC(=O)C[C@@H](OC(=O)C[C@@H](CC(=O)O[C@@H]2O[C@@H]([C@@H](OC)[C@H]([C@H]2OC)OC)C)C)CCCCCCCCCCCCC)CN([C@H]1C(O[C@@H]3O[C@H](CN)[C@H]([C@H]3O)O)[C@H]4O[C@@H](N5C(=O)NC(=O)C=C5)[C@@H]([C@@H]4O)O)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,5S,6S)-2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-6-[(3S)-3-[(3S)-3-methyl-5-oxo-5-[(2S,3R,4R,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxypentanoyl]oxyhexadecanoyl]oxy-3-oxo-1,4-diazepane-5-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226091

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