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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
organooxygen compound > ester > lactone > cyclodepsipeptide > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
... > 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 > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
... > 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 > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid
... > 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 > 3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid

Preferred term

3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C53H93N7O13

inchi

  • InChI=1S/C53H93N7O13/c1-12-13-14-15-16-17-18-19-20-21-22-23-36-29-42(61)54-37(24-25-43(62)63)47(66)59-45(34(8)9)51(70)56-39(27-32(4)5)50(69)60-46(35(10)11)52(71)57-40(30-44(64)65)49(68)55-38(26-31(2)3)48(67)58-41(28-33(6)7)53(72)73-36/h31-41,45-46H,12-30H2,1-11H3,(H,54,61)(H,55,68)(H,56,70)(H,57,71)(H,58,67)(H,59,66)(H,60,69)(H,62,63)(H,64,65)/t36-,37+,38+,39+,40+,41+,45+,46+/m1/s1

inchikey

  • FQASSPLXNPVMIT-XOOSUAOSSA-N

mass

  • 1036.363

monoisotopicmass

  • 1035.68314

smiles

  • O=C1O[C@@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CC(=O)O)=O)C(C)C)=O)C(C)C)CCC(=O)O)CCCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • 3-[(3S,6S,9S,12S,15S,18S,21S,25R)-9-(carboxymethyl)-3,6,15-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12,18-di(propan-2-yl)-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-21-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224428

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