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

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core 4

	Properties	Image
MNX_ID	MNXM730581
reference	metacycM:GLUCOSAMINYL-16-ETCETERA-GALACTOSAMINYL-
formula	C₂₇H₄₃N₄O₁₇*₃
global charge	0
mol weight
InChIKey
InChI
SMILES	[]N[C@H](C([])=O)C([*])O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[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/C30H52N4O17/c1-10(37)18(31-6)11(2)47-30-21(34-14(5)40)27(51-29-20(33-13(4)39)26(45)23(42)16(8-36)49-29)24(43)17(50-30)9-46-28-19(32-12(3)38)25(44)22(41)15(7-35)48-28/h11,15-31,35-36,41-45H,7-9H2,1-6H3,(H,32,38)(H,33,39)(H,34,40)/t11?,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28-,29+,30+/m1/s1/i1+1,2+1,6+1
SMILES (mnx)	[13CH3:1][C:10]([C@H:18]([CH:11]([13CH3:2])[O:47][C@@H:30]1[C@H:21]([N:34]=[C:14]([CH3:5])[OH:40])[C@@H:27]([O:51][C@H:29]2[C@H:20]([N:33]=[C:13]([CH3:4])[OH:39])[C@@H:26]([OH:45])[C@H:23]([OH:42])[C@@H:16]([CH2:8][OH:36])[O:49]2)[C@@H:24]([OH:43])[C@@H:17]([CH2:9][O:46][C@H:28]2[C@H:19]([N:32]=[C:12]([CH3:3])[OH:38])[C@@H:25]([OH:44])[C@H:22]([OH:41])[C@@H:15]([CH2:7][OH:35])[O:48]2)[O:50]1)[NH:31][13CH3:6])=[O:37]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:GLUCOSAMINYL-16-ETCETERA-GALACTOSAMINYL- metacycM:GLUCOSAMINYL-16-ETCETERA-GALACTOSAMINYL-	core 4 N-acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-alpha-D-galactosaminyl-R N-acetyl-beta-D-glucosaminyl-1,6-(N-acetyl-beta-D-glucosaminyl-1,3)-N-acetyl-alpha-D-galactosaminyl-[glycoprotein]