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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 > cyclic peptide > anabaenopeptin sa7
organooxygen compound > carboxamide > peptide > cyclic peptide > anabaenopeptin sa7
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > cyclic peptide > anabaenopeptin sa7
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > cyclic peptide > anabaenopeptin sa7
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > cyclic peptide > anabaenopeptin sa7

Preferred term

anabaenopeptin sa7  

Type

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

Broader concept

charge

  • 0

formula

  • C44H64N8O9

inchi

  • InChI=1S/C44H64N8O9/c1-6-27(3)36-41(57)47-32(23-16-21-29-17-10-8-11-18-29)42(58)52(5)34(26-35(45)53)40(56)48-33(25-30-19-12-9-13-20-30)38(54)46-24-15-14-22-31(39(55)50-36)49-44(61)51-37(43(59)60)28(4)7-2/h8-13,17-20,27-28,31-34,36-37H,6-7,14-16,21-26H2,1-5H3,(H2,45,53)(H,46,54)(H,47,57)(H,48,56)(H,50,55)(H,59,60)(H2,49,51,61)/t27-,28+,31+,32-,33-,34-,36+,37-/m0/s1

inchikey

  • XFZXMMBSPZFCNM-CQRCMTKCSA-N

mass

  • 849.043

monoisotopicmass

  • 848.47963

smiles

  • O=C1N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(N[C@@H](C(N[C@H]1CCCC2=CC=CC=C2)=O)[C@H](CC)C)=O)NC(=O)N[C@H](C(=O)O)[C@@H](CC)C)CC3=CC=CC=C3)CC(=O)N)C

subset

  • 2_STAR

synonym EXACT

  • (2S,3R)-2-[[(3S,6S,9S,12R,15R)-6-(2-amino-2-oxoethyl)-3-benzyl-12-[(2S)-butan-2-yl]-7-methyl-2,5,8,11,14-pentaoxo-9-(3-phenylpropyl)-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222102

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