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ADP-D-glycero-beta-D-manno-heptose

Properties

Image

Occurences in reactions

MNX_ID

MNXM1107947

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	10

formula

C₁₇H₂₅N₅O₁₆P₂

charge

-2

mass

617.07825

reference

chebi:59967

InChIKey

KMSFWBYFWSKGGR-FQBROAFUSA-L

InChI

InChI=1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/p-2/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+/m1/s1

SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:59967 chebi:59967	ADP-D-glycero-beta-D-manno-heptose ADP-D-glycero-beta-D-manno-heptose(2-) adenine 5'-[3-(D-glycero-beta-D-manno-heptopyranosyl) diphosphate]
bigg.metabolite:adphep_DD biggM:adphep_DD	ADP-D-glycero-D-manno-heptose
seed.compound:cpd03830 seedM:cpd03830	ADP-D-glycero-D-manno-heptose 2-[[[5-[(6-amino-9H-purin-9-yl)]-3,4-dihydroxy-tetrahydrofuran- 2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxy-6- (1,2-dihydroxyethyl)tetrahydropyran-3,4,5-triol ADP-D-beta-D-heptose ADP-D-glycero-beta-D-manno-heptose adphep-D,D
kegg.compound:C06397 keggC:C06397	ADP-D-glycero-beta-D-manno-heptose
metacyc.compound:ADP-D-GLYCERO-D-MANNO-HEPTOSE metacycM:ADP-D-GLYCERO-D-MANNO-HEPTOSE	ADP-D-glycero-beta-D-manno-heptose 2-[[[5-[(6-amino-9H-purin-9-yl)]-3,4-dihydroxy-tetrahydrofuran- 2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxy-6- (1,2-dihydroxyethyl)tetrahydropyran-3,4,5-triol ADP-D-beta-D-heptose
CHEBI:59966 chebi:59966	ADP-D-glycero-beta-D-manno-heptose adenine 5'-[3-(D-glycero-beta-D-manno-heptopyranosyl) dihydrogen diphosphate]
biggM:M_adphep_DD keggC:M_C06397 seedM:M_cpd03830	secondary/obsolete/fantasy identifier