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

Properties

Image

Occurences in reactions

MNX_ID

MNXM1108522

	#reac
in my sandbox	0
in MNXref (generic)	52
in models (compartimentalized)	30

formula

C₁₇H₂₅N₅O₁₆P₂

charge

-2

mass

617.352

reference

chebi:61506

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

[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]

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:61506 chebi:61506	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	ADP-L-glycero-D-manno-heptose
seed.compound:cpd03831 seedM:cpd03831	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	ADP-L-glycero-beta-D-manno-heptose
metacyc.compound:ADP-L-GLYCERO-D-MANNO-HEPTOSE metacycM:ADP-L-GLYCERO-D-MANNO-HEPTOSE	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	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