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Mucin-type O-glycan No 84

PropertiesImage
MNX_IDMNXM1581904 Image of MNXM1581904
referencevmhM:MGlcn84
vmhM:MGlcn84
formulaC16H28N2O11
global charge0
mol weight424.403
InChIKeyFJGXDMQHNYEUHI-SOJRGHJKSA-N
InChIInChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8+,9-,10+,11+,12-,13-,14-,15+,16+/m0/s1
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[C@@H](CO)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8+,9-,10+,11+,12-,13-,14-,15+,16+/m0/s1 Image of MNXM1581904
SMILES (mnx)[CH3:1][C:5]([NH:17][C@H:9]1[C@H:13]([OH:25])[C@H:11]([OH:23])[C@H:7]([CH2:3][OH:19])[O:28][C@@H:16]1[O:29][C@H:14]1[C@@H:10]([NH:18][C:6]([CH3:2])=[O:22])[C@H:15]([OH:26])[O:27][C@H:8]([CH2:4][OH:20])[C@@H:12]1[OH:24])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:MGlcn84
vmhM:MGlcn84
vmhmetabolite:MGlcn84
vmhmetabolite:MGlcn84
FJGXDMQHNYEUHI-SOJRGHJKSA-N 		Mucin-type O-glycan No 84

vmhM:M_MGlcn84 		secondary/obsolete/fantasy identifier