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

Preferred term

brasilibactin a  

Type

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

Broader concept

charge

  • 0

formula

  • C42H67N5O10

inchi

  • InChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-37(31(2)38(50)43-34-20-17-19-28-47(55)41(34)52)57-42(53)35(21-16-18-27-46(54)30-48)44-39(51)36-29-56-40(45-36)32-23-25-33(49)26-24-32/h23-26,30-31,34-37,49,54-55H,3-22,27-29H2,1-2H3,(H,43,50)(H,44,51)/t31?,34-,35-,36-,37?/m1/s1

inchikey

  • GUHXRIXCLRPVPK-JDWUKTJXSA-N

mass

  • 802.023

monoisotopicmass

  • 801.48879

smiles

  • O=C1N(O)CCCC[C@H]1NC(=O)C(C(OC(=O)[C@H](NC(=O)[C@@H]2N=C(C3=CC=C(O)C=C3)OC2)CCCCN(O)C=O)CCCCCCCCCCCCCCC)C

subset

  • 2_STAR

synonym EXACT

  • [1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxooctadecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[(4R)-2-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:200859

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