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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 a
organooxygen compound > carbon oxoacid > carboxylic acid > n-acyl-amino acid > octacosamicin a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > n-acyl-amino acid > octacosamicin a
... > 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 a
... > 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 a
... > 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 a
organooxygen compound > carboxamide > n-acyl-amino acid > octacosamicin a
... > 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 a

Preferred term

octacosamicin a  

Type

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

Broader concept

charge

  • 0

formula

  • C31H52N4O9

inchi

  • InChI=1S/C31H52N4O9/c32-31(33)35(44)20-16-12-8-4-7-10-14-18-24(36)17-13-9-5-2-1-3-6-11-15-19-25(37)21-26(38)22-27(39)29(42)30(43)34-23-28(40)41/h1-3,5,7,10,14,18,25-27,29,37-39,42,44H,4,6,8-9,11-13,15-17,19-23H2,(H3,32,33)(H,34,43)(H,40,41)/b3-1+,5-2+,10-7+,18-14+

inchikey

  • JHJDTYDBQYAKEF-NMPSDRPFSA-N

mass

  • 624.776

monoisotopicmass

  • 624.37343

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221995

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