MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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guamecycline
Properties
Image
Occurences in reactions
MNX_ID
MNXM526138
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
29
H
38
N
8
O
8
charge
0
mass
626.28126
reference
chebi:135854
InChIKey
DIRJDIBCAHCCFL-AQFAATAFSA-N
InChI
InChI=1S/C29H38N8O8/c1-28(44)13-5-4-6-16(38)17(13)21(39)18-14(28)11-15-20(35(2)3)22(40)19(24(42)29(15,45)23(18)41)25(43)33-12-36-7-9-37(10-8-36)27(32)34-26(30)31/h4-6,14-15,20,38,40-41,44-45H,7-12H2,1-3H3,(H,33,43)(H5,30,31,32,34)/t14-,15-,20-,28+,29-/m0/s1
SMILES
CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCN(C(=N)NC(=N)N)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:135854
chebi:135854
guamecycline
Xanthomycin A
tetrabiguanide
xantomicina