MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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

	Properties	Image
MNX_ID	MNXM1108522
reference	chebi:61506
formula	C₁₇H₂₅N₅O₁₆P₂
global charge	-2
mol weight	617.354
InChIKey	KMSFWBYFWSKGGR-DTBZDYEHSA-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-/m0/s1
SMILES	NC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1

MNX internals

InChI (mnx)	InChI=1/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)/t5-,6+,8+,9-,10-,11+,12-,13+,16+,17-/m0/s1
SMILES (mnx)	[CH2:1]([C@@H:5]([C@@H:13]1[C@@H:10]([OH:27])[C@H:9]([OH:26])[C@H:12]([OH:29])[C@H:17]([O:37][P:40]([OH:32])(=[O:33])[O:38][P:39]([OH:30])(=[O:31])[O:34][CH2:2][C@@H:6]2[C@@H:8]([OH:25])[C@@H:11]([OH:28])[C@H:16]([N:22]3[CH:4]=[N:21][C:7]4=[C:14]([NH2:18])[N:19]=[CH:3][N:20]=[C:15]43)[O:35]2)[O:36]1)[OH:24])[OH:23]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	56
in models (compartimentalized)	13

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61506 chebi:61506 KMSFWBYFWSKGGR-DTBZDYEHSA-L	ADP-L-glycero-beta-D-manno-heptose ADP-L-glycero-beta-D-manno-heptose dianion ADP-L-glycero-beta-D-manno-heptose(2-)
bigg.metabolite:adphep_LD biggM:adphep_LD KMSFWBYFWSKGGR-DTBZDYEHSA-L	ADP-L-glycero-D-manno-heptose
seed.compound:cpd03831 seedM:cpd03831 KMSFWBYFWSKGGR-DTBZDYEHSA-L	ADP-L-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-L-glycero-beta-D-manno-heptose adphep-L
kegg.compound:C06398 keggC:C06398 KMSFWBYFWSKGGR-DTBZDYEHSA-N	ADP-L-glycero-beta-D-manno-heptose
metacyc.compound:ADP-L-GLYCERO-D-MANNO-HEPTOSE metacycM:ADP-L-GLYCERO-D-MANNO-HEPTOSE KMSFWBYFWSKGGR-DTBZDYEHSA-L	ADP-L-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-L-glycero-D-manno-heptose
CHEBI:61530 chebi:61530 KMSFWBYFWSKGGR-DTBZDYEHSA-N	ADP-L-glycero-beta-D-manno-heptose adenine 5'-[3-(L-glycero-beta-D-manno-heptopyranosyl) dihydrogen diphosphate]
biggM:M_adphep_LD keggC:M_C06398 seedM:M_cpd03831	secondary/obsolete/fantasy identifier