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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > pelgipeptin a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > pelgipeptin a
organooxygen compound > ester > lactone > cyclodepsipeptide > pelgipeptin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > pelgipeptin a
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > pelgipeptin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > pelgipeptin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > pelgipeptin 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 > depsipeptide > cyclodepsipeptide > pelgipeptin a

Preferred term

pelgipeptin a  

Type

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

Broader concept

charge

  • 0

formula

  • C52H88N12O12

inchi

  • InChI=1S/C52H88N12O12/c1-27(2)22-36-47(70)57-35(18-21-55)46(69)64-43(31(9)10)51(74)61-37(23-28(3)4)48(71)62-39(26-65)52(75)76-40(29(5)6)25-41(66)56-33(16-19-53)45(68)63-42(30(7)8)50(73)58-34(17-20-54)44(67)60-38(49(72)59-36)24-32-14-12-11-13-15-32/h11-15,27-31,33-40,42-43,65H,16-26,53-55H2,1-10H3,(H,56,66)(H,57,70)(H,58,73)(H,59,72)(H,60,67)(H,61,74)(H,62,71)(H,63,68)(H,64,69)

inchikey

  • BKXFLPALZOSCBA-UHFFFAOYSA-N

mass

  • 1073.348

monoisotopicmass

  • 1072.66447

smiles

  • O=C1OC(C(C)C)CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC2=CC=CC=C2)C(NC(C(NC(C(NC(C(NC(C(NC1CO)=O)CC(C)C)=O)C(C)C)=O)CCN)=O)CC(C)C)=O)CCN)C(C)C)CCN

subset

  • 2_STAR

synonym EXACT

  • 12,21,27-tris(2-aminoethyl)-18-benzyl-3-(hydroxymethyl)-6,15-bis(2-methylpropyl)-9,24,31-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacontane-2,5,8,11,14,17,20,23,26,29-decone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219907

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