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Concept information

Preferred term

WB 3559 A  

Type

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

Broader concept

charge

  • 0

formula

  • C36H66N2O7

inchi

  • InChI=1S/C36H66N2O7/c1-29(2)22-18-14-10-6-5-7-13-17-21-25-35(42)45-31(24-20-16-12-9-8-11-15-19-23-30(3)4)26-33(40)37-27-34(41)38-32(28-39)36(43)44/h13,17,29-32,39H,5-12,14-16,18-28H2,1-4H3,(H,37,40)(H,38,41)(H,43,44)/b17-13+/t31-,32+/m1/s1

inchikey

  • LVBXUDKEAOBSPR-DYITVEONSA-N

mass

  • 638.931

monoisotopicmass

  • 638.48700

smiles

  • O=C(O)[C@@H](NC(=O)CNC(=O)C[C@H](OC(=O)CC/C=C/CCCCCCCC(C)C)CCCCCCCCCCC(C)C)CO

subset

  • 2_STAR

synonym EXACT

  • (2S)-3-hydroxy-2-[[2-[[(3R)-14-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxypentadecanoyl]amino]acetyl]amino]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211638

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