Search MNXref
 Feedback

CDP-4-dehydro-3,6-dideoxy-D-glucose

MNXM4514 is deprecated and here replaced by MNXM736331
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736331 Image of MNXM736331
referencechebi:17817
formulaC15H23N3O14P2
global charge0
mol weight531.304
InChIKeyDATWFRMXXZBEPM-DJVIQRSOSA-N
InChIInChI=1S/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14?/m1/s1
SMILESC[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)CC1=O
MNX internals
InChI (mnx)InChI=1/C15H23N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H2,16,17,23)/t6-,8-,9-,11-,12-,13-,14?/m1/s1 Image of MNXM736331
SMILES (mnx)[CH3:1][C@@H:6]1[C:7](=[O:19])[CH2:4][C@@H:8]([OH:20])[CH:14]([O:31][P:34]([OH:26])(=[O:27])[O:32][P:33]([OH:24])(=[O:25])[O:28][CH2:5][C@@H:9]2[C@@H:11]([OH:21])[C@@H:12]([OH:22])[C@H:13]([N:18]3[CH:3]=[CH:2][C:10](=[NH:16])[N:17]=[C:15]3[OH:23])[O:30]2)[O:29]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17817
chebi:17817
DATWFRMXXZBEPM-DJVIQRSOSA-N 		CDP-4-dehydro-3,6-dideoxy-D-glucose
cytidine 5'-[3-(3,6-dideoxy-D-erythro-hexopyranosyl-4-ulose) dihydrogen diphosphate]

CHEBI:58283
chebi:58283
DATWFRMXXZBEPM-DJVIQRSOSA-L 		CDP-4-dehydro-3,6-dideoxy-D-glucose
CDP-4-dehydro-3,6-dideoxy-D-glucose dianion
CDP-4-dehydro-3,6-dideoxy-D-glucose(2-)
cytidine 5'-[3-(3,6-dideoxy-D-erythro-hexopyranosyl-4-ulose) diphosphate]

chebi:13261
chebi:20862
chebi:3263 		secondary/obsolete/fantasy identifier