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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Relamorelin (USAN/INN)
Properties
Image
Occurences in reactions
MNX_ID
MNXM160813
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
43
H
50
N
8
O
5
S
charge
0
mass
790.36249
reference
keggD:D10660
InChIKey
IPMQOGDSJZQLFX-BIBZJUPHSA-N
InChI
InChI=1S/C43H50N8O5S/c44-42(56)43(16-19-45-20-17-43)51-41(55)34(21-27-9-2-1-3-10-27)49-39(53)35(22-29-25-47-33-14-6-4-12-31(29)33)50-40(54)36(48-38(52)28-11-8-18-46-24-28)23-30-26-57-37-15-7-5-13-32(30)37/h1-7,9-10,12-15,25-26,28,34-36,45-47H,8,11,16-24H2,(H2,44,56)(H,48,52)(H,49,53)(H,50,54)(H,51,55)/t28?,34-,35+,36+/m0/s1
SMILES
NC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2csc3ccccc23)NC(=O)C2CCCNC2)CCNCC1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
kegg.drug:D10660
keggD:D10660
Relamorelin (USAN/INN)
keggD:M_D10660
secondary/obsolete/fantasy identifier