(1S,2R,3R,4S,5S,6R)-2-{[2-Amino-2-deoxy-6-O-(α-D-mannopyranosyl)-α-D-glucopyranosyl]oxy}-3,4,5,6-tetrahydroxycyclohexyl (2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl hydroge n phosphate

More details:

• Systematic name

  (1S,2R,3R,4S,5S,6R)-2-{[2-Amino-2-deoxy-6-O-(alpha-D-mannopyranosyl)-alpha-D-glucopyranosyl]oxy}-3,4,5,6-tetrahydroxycyclohexyl (2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl hydroge n phosphate

• SMILES

  CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(O)(=O)O[C@@H]1[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)C(O)CCCCCCCCCCCCCC

• Std. InChi

  InChI=1S/C60H117N2O22P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-42(65)58(76)62-40(46(66)41(64)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-80-85(77,78)84-57-54(74)52(72)51(71)53(73)56(57)83-59-45(61)49(69)48(68)44(82-59)39-79-60-55(75)50(70)47(67)43(37-63)81-60/h40-57,59-60,63-75H,3-39,61H2,1-2H3,(H,62,76)(H,77,78)/t40-,41?,42?,43+,44+,45+,46-,47+,48+,49+,50-,51-,52-,53+,54+,55-,56+,57-,59+,60-/m0/s1

• Std. InChIKey

  QGIUPHXMTSDGSV-VNAYCNMSSA-N

• Cite this record

  CSID:78437862, http://www.chemspider.com/Chemical-Structure.78437862.html (accessed 06:02, Jun 14, 2024)