Met009358: CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate

Metabolite Information

Name

CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate

IUPAC Name

(2R,4R,5R,6R)-6-[(1R)-2-amino-1-hydroxyethyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxyoxane-2-carboxylic acid

Molecular Formula

C17H27N4O14P

Molecular Weight

542.4

Exact Mass

542.1261386

SMILES

C1C(C(C(OC1(C(=O)O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)C(CN)O)O)O

InChIKey

DRAKZHNWGXXUTP-UOVSKDHASA-N

InChI

InChI=1S/C17H27N4O14P/c18-4-7(23)13-10(24)6(22)3-17(34-13,15(27)28)35-36(30,31)32-5-8-11(25)12(26)14(33-8)21-2-1-9(19)20-16(21)29/h1-2,6-8,10-14,22-26H,3-5,18H2,(H,27,28)(H,30,31)(H2,19,20,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1