Feedback

CMP-N,N-diacetyllegionaminate

Properties

Image

Occurences in reactions

MNX_ID

MNXM16758

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₂H₃₂N₅O₁₅P

charge

-2

mass

637.16435

reference

chebi:68670

InChIKey

XTZJKGIMUFZFBV-QBAABWDMSA-L

InChI

InChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/p-2/t8-,11+,12-,14-,15-,16-,17-,18+,19-,22-/m1/s1

SMILES

CC(=O)N[C@@H]1[C@@H](O)C[C@@](OP(=O)([O-])OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)[O-])O[C@H]1[C@H](NC(C)=O)[C@@H](C)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:68670 chebi:68670	CMP-N,N-diacetyllegionaminate CMP-N,N-diacetyllegionaminate(2-) cytidine 5'-(5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonate monophosphate)
kegg.compound:C20419 keggC:C20419	CMP-N,N'-diacetyllegionaminate
metacyc.compound:CPD-13167 metacycM:CPD-13167	CMP-N,N'-diacetyllegionaminate CMP-N,N'-diacetyllegionaminic acid
CHEBI:68683 chebi:68683	CMP-N,N-diacetyllegionaminic acid cytidine 5'-(5,7-diacetamido-3,5,7,9-tetradeoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate)
seed.compound:cpd23764 seedM:cpd23764	CMP-legionaminate CMP-N,N'-diacetyllegionaminate CMP-N,N'-diacetyllegionaminic acid CMP-legionaminic acid
keggC:M_C20419 seedM:M_cpd23764	secondary/obsolete/fantasy identifier