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Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

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

Preferred term

mannopeptimycin beta  

Type

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

Broader concept

charge

  • 0

formula

  • C42H58N12O15

inchi

  • InChI=1S/C42H58N12O15/c1-17(19-5-3-2-4-6-19)27-37(66)48-21(11-18-7-9-20(57)10-8-18)36(65)52-28(30(59)22-12-46-41(43)50-22)39(68)53-29(38(67)49-23(15-55)35(64)45-14-26(58)51-27)31(60)24-13-47-42(44)54(24)40-34(63)33(62)32(61)25(16-56)69-40/h2-10,17,21-25,27-34,40,55-57,59-63H,11-16H2,1H3,(H2,44,47)(H,45,64)(H,48,66)(H,49,67)(H,51,58)(H,52,65)(H,53,68)(H3,43,46,50)/t17-,21+,22-,23-,24-,25+,27-,28?,29+,30-,31-,32+,33-,34-,40-/m0/s1

inchikey

  • YBILMIDCJFLBHS-QVYPULOLSA-N

mass

  • 970.995

monoisotopicmass

  • 970.41446

smiles

  • O=C1N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(N[C@@H](C(NC1[C@@H](O)[C@H]2NC(N)=NC2)=O)CC3=CC=C(O)C=C3)=O)[C@H](C4=CC=CC=C4)C)CO)[C@@H](O)[C@H]5N(C(N)=NC5)[C@H]6O[C@@H]([C@@H](O)[C@@H]([C@@H]6O)O)CO

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,12R,15S)-9-[(S)-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-hydroxymethyl]-6-[(R)-[(4S)-2-amino-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4,5-dihydroimidazol-4-yl]-hydroxymethyl]-3-(hydroxymethyl)-12-[(4-hydroxyphenyl)methyl]-15-[(1S)-1-phenylethyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213964

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