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Chemistry, part 1

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

Preferred term

aquachelin i  

Type

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

Broader concept

charge

  • 0

formula

  • C44H76N10O21

inchi

  • InChI=1S/C44H76N10O21/c1-4-5-6-7-8-9-10-13-26(60)20-34(62)52-35(36(63)44(72)73)42(69)51-32(23-57)41(68)50-30(21-55)39(66)47-28(16-17-33(45)61)38(65)46-27(14-11-18-53(74)24(2)58)37(64)49-31(22-56)40(67)48-29(43(70)71)15-12-19-54(75)25(3)59/h26-32,35-36,55-57,60,63,74-75H,4-23H2,1-3H3,(H2,45,61)(H,46,65)(H,47,66)(H,48,67)(H,49,64)(H,50,68)(H,51,69)(H,52,62)(H,70,71)(H,72,73)

inchikey

  • GMPWCLNTXHKZJN-UHFFFAOYSA-N

mass

  • 1081.141

monoisotopicmass

  • 1080.51865

smiles

  • O=C(O)C(O)C(NC(=O)CC(O)CCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CCCN(O)C(=O)C)CO)CCCN(O)C(=O)C)CCC(=O)N)CO)CO

subset

  • 2_STAR

synonym EXACT

  • 5-[acetyl(hydroxy)amino]-2-[[2-[[5-[acetyl(hydroxy)amino]-2-[[5-amino-2-[[2-[[2-[[3-carboxy-3-hydroxy-2-(3-hydroxydodecanoylamino)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]pentanoyl]amino]-3-hydroxypropanoyl]amino]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212776

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