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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > n-acyl-amino acid > octacosamicin b
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > octacosamicin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > octacosamicin b
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > octacosamicin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > n-acyl-amino acid > octacosamicin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > n-acyl-amino acid > octacosamicin b
organooxygen compound > carboxamide > n-acyl-amino acid > octacosamicin b
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > n-acyl-amino acid > octacosamicin b

Preferred term

octacosamicin b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H54N4O9

inchi

  • InChI=1S/C32H54N4O9/c1-24(27(39)21-26(38)22-28(40)30(43)31(44)35-23-29(41)42)17-13-9-5-2-3-6-10-14-18-25(37)19-15-11-7-4-8-12-16-20-36(45)32(33)34/h2-3,5-7,11,15,19,24,26-28,30,38-40,43,45H,4,8-10,12-14,16-18,20-23H2,1H3,(H3,33,34)(H,35,44)(H,41,42)/b5-2+,6-3+,11-7+,19-15+

inchikey

  • YRBWJHGUKBSDDE-RLZHPBLRSA-N

mass

  • 638.803

monoisotopicmass

  • 638.38908

smiles

  • O=C(NCC(=O)O)C(O)C(O)CC(O)CC(O)C(CCC/C=C/C=C/CCCC(=O)/C=C/C=C/CCCCCN(O)C(=N)N)C

subset

  • 2_STAR

synonym EXACT

  • 2-[[(12E,14E,20E,22E)-28-[carbamimidoyl(hydroxy)amino]-2,3,5,7-tetrahydroxy-8-methyl-19-oxooctacosa-12,14,20,22-tetraenoyl]amino]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221989

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