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

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core 3

	Properties	Image
MNX_ID	MNXM730520
reference	metacycM:GLUCOSAMINYL-13-N-ETCETERA-GALACTOSAMINY
formula	C₁₉H₃₀N₃O₁₂*₃
global charge	0
mol weight
InChIKey
InChI
SMILES	[]N[C@H](C([])=O)C([*])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O

MNX internals

InChI (mnx)	InChI=1/C22H39N3O12/c1-8(28)14(23-5)9(2)34-22-16(25-11(4)30)20(18(32)13(7-27)36-22)37-21-15(24-10(3)29)19(33)17(31)12(6-26)35-21/h9,12-23,26-27,31-33H,6-7H2,1-5H3,(H,24,29)(H,25,30)/t9?,12-,13-,14-,15-,16-,17-,18+,19-,20-,21+,22+/m1/s1/i1+1,2+1,5+1
SMILES (mnx)	[13CH3:1][C:8]([C@H:14]([CH:9]([13CH3:2])[O:34][C@@H:22]1[C@H:16]([N:25]=[C:11]([CH3:4])[OH:30])[C@@H:20]([O:37][C@H:21]2[C@H:15]([N:24]=[C:10]([CH3:3])[OH:29])[C@@H:19]([OH:33])[C@H:17]([OH:31])[C@@H:12]([CH2:6][OH:26])[O:35]2)[C@@H:18]([OH:32])[C@@H:13]([CH2:7][OH:27])[O:36]1)[NH:23][13CH3:5])=[O:28]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:GLUCOSAMINYL-13-N-ETCETERA-GALACTOSAMINY metacycM:GLUCOSAMINYL-13-N-ETCETERA-GALACTOSAMINY	core 3 N-acetyl-beta-D-glucosaminyl-1,3-N-acetyl-alpha-D-galactosaminyl-R N-acetyl-beta-D-glucosaminyl-1,3-N-acetyl-alpha-D-galactosaminyl-[glycoprotein]