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Concept information

Preferred term

WA8242A1  

Type

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

Broader concept

charge

  • 0

formula

  • C39H74N2O7

inchi

  • InChI=1S/C39H74N2O7/c1-31(2)23-18-14-10-6-5-7-12-16-20-25-33(42)29-37(44)41-35(27-22-28-38(45)46)39(47)48-34(30-36(40)43)26-21-17-13-9-8-11-15-19-24-32(3)4/h31-35,42H,5-30H2,1-4H3,(H2,40,43)(H,41,44)(H,45,46)/t33-,34-,35-/m0/s1

inchikey

  • BSNMYXPQSLGSDY-IMKBVMFZSA-N

mass

  • 683.028

monoisotopicmass

  • 682.54960

smiles

  • O=C(O[C@H](CC(=O)N)CCCCCCCCCCC(C)C)[C@@H](NC(=O)C[C@@H](O)CCCCCCCCCCCC(C)C)CCCC(=O)O

subset

  • 2_STAR

synonym EXACT

  • (5S)-6-[(3S)-1-amino-14-methyl-1-oxopentadecan-3-yl]oxy-5-[[(3S)-3-hydroxy-15-methylhexadecanoyl]amino]-6-oxohexanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202420

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