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

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core 2

	Properties	Image
MNX_ID	MNXM739583
reference	metacycM:Core2
formula	C₂₅H₄₀N₃O₁₇*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]2O)[C@H]1NC(C)=O

MNX internals

InChI (mnx)	InChI=1/C28H49N3O17/c1-9(34)16(29-5)10(2)44-27-18(31-12(4)36)25(48-28-24(42)23(41)20(38)14(7-33)46-28)21(39)15(47-27)8-43-26-17(30-11(3)35)22(40)19(37)13(6-32)45-26/h10,13-29,32-33,37-42H,6-8H2,1-5H3,(H,30,35)(H,31,36)/t10?,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,25-,26-,27+,28+/m1/s1/i1+1,2+1,5+1
SMILES (mnx)	[13CH3:1][C:9]([C@H:16]([CH:10]([13CH3:2])[O:44][C@@H:27]1[C@H:18]([N:31]=[C:12]([CH3:4])[OH:36])[C@@H:25]([O:48][C@H:28]2[C@H:24]([OH:42])[C@@H:23]([OH:41])[C@@H:20]([OH:38])[C@@H:14]([CH2:7][OH:33])[O:46]2)[C@@H:21]([OH:39])[C@@H:15]([CH2:8][O:43][C@H:26]2[C@H:17]([N:30]=[C:11]([CH3:3])[OH:35])[C@@H:22]([OH:40])[C@H:19]([OH:37])[C@@H:13]([CH2:6][OH:32])[O:45]2)[O:47]1)[NH:29][13CH3:5])=[O:34]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:Core2 metacycM:Core2	core 2 O-3-{beta-D-galactosyl-1,3-(N-acetyl-beta-D-glucosaminyl-1,6)-N-acetyl-D-galactosaminyl}-L-seryl/threonyl-[protein] beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-D-galactosaminyl-R beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl-[glycoprotein]