lacto-N-triose II

Chemical Formula:

C₂₀H₃₅NO₁₆

Molecular Weight:

545.5 Daltons

Monoisotopic Mass:

545.19558403 Daltons

SMILES:

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O

InChI:

1S/C20H35NO16/c1-6(26)21-11-15(32)13(30)9(4-24)34-19(11)37-18-14(31)10(5-25)35-20(16(18)33)36-17(8(28)3-23)12(29)7(27)2-22/h2,7-20,23-25,27-33H,3-5H2,1H3,(H,21,26)/t7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17+,18-,19-,20-/m0/s1

InChIKey:

RJTOFDPWCJDYFZ-SPVZFZGWSA-N

Synonyms

LNT II

Databases

PubChem (CID): 53477860