Analyte Name

AAL Toxin TB1

CAS Number

176590-32-2

Molecular Formula

C25 H47 N O9

Molecular Weight

505.642

Accurate Mass

505.325

SMILES

CC[C@@H](C)[C@@H](O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)CN)OC(=O)C[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)/t16-,17+,18+,19+,20-,21-,24+/m0/s1

IUPAC

(2R)-2-[2-[(3R,4R,5S,7S,14R,16S)-17-amino-4,14,16-trihydroxy-3,7-dimethylheptadecan-5-yl]oxy-2-oxoethyl]butanedioic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat