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Content language

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Concept information

Preferred term

GE23077 B1/B2  

Type

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

Broader concept

charge

  • 0

formula

  • C31H51N9O16

inchi

  • InChI=1S/C31H51N9O16/c1-10(2)6-16(44)33-7-13-24(48)36-14(9-41)25(49)37-17(11(3)4)28(52)39-19(21(45)22(46)23(32)47)29(53)38-18(12(5)42)27(51)34-8-15(43)26(50)40-20(31(55)56)30(54)35-13/h10-15,17-22,41-43,45-46H,6-9H2,1-5H3,(H2,32,47)(H,33,44)(H,34,51)(H,35,54)(H,36,48)(H,37,49)(H,38,53)(H,39,52)(H,40,50)(H,55,56)

inchikey

  • XIVBOCXYLSIBCF-UHFFFAOYSA-N

mass

  • 805.796

monoisotopicmass

  • 805.34538

smiles

  • O=C1NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)C(O)C(=O)N)C(NC(C(NCC(C(NC1C(=O)O)=O)O)=O)C(O)C)=O)C(C)C)CO)CNC(=O)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • 14-(3-amino-1,2-dihydroxy-3-oxopropyl)-21-hydroxy-17-(1-hydroxyethyl)-8-(hydroxymethyl)-5-[(3-methylbutanoylamino)methyl]-3,6,9,12,15,18,22-heptaoxo-11-propan-2-yl-1,4,7,10,13,16,19-heptazacyclodocosane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:209756

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