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ADP-L-glycero-D-manno-heptose

MNXM857 is deprecated and here replaced by MNXM1108521
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1108521 Image of MNXM1108521
referencechebi:15915
formulaC17H27N5O16P2
global charge0
mol weight619.37
InChIKeyKMSFWBYFWSKGGR-XRLZOAFQSA-N
InChIInChI=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)/t5-,6+,8+,9-,10-,11+,12-,13+,16+,17?/m0/s1
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OC4O[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 Image of MNXM1108521
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])[CH: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)5
in models (compartimentalized) 18
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9645519
reactomeM:R-ALL-9645519
CHEBI:15915
chebi:15915
KMSFWBYFWSKGGR-XRLZOAFQSA-N 		ADP-L-glycero-D-manno-heptose
adenine 5'-[3-(L-glycero-D-manno-heptopyranosyl) dihydrogen diphosphate]

sabiork.compound:1589
sabiorkM:1589
vmhM:adphep_LD
vmhmetabolite:adphep_LD
KMSFWBYFWSKGGR-XRLZOAFQSA-L
KMSFWBYFWSKGGR-XRLZOAFQSA-N 		ADP-L-glycero-D-manno-heptose

CHEBI:57564
chebi:57564
KMSFWBYFWSKGGR-XRLZOAFQSA-L 		ADP-L-glycero-D-manno-heptose(2-)
ADP-L-glycero-D-manno-heptose dianion
adenine 5'-[3-(L-glycero-D-manno-heptopyranosyl) diphosphate]

chebi:13226
chebi:20844
chebi:2347
vmhM:M_adphep_LD 		secondary/obsolete/fantasy identifier