Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

LSM-14074

PropertiesImageOccurences in reactions
MNX_IDMNXM528756Image of MNXM528756
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC30H37N5O5S
charge0
mass579.25154
referencechebi:102728
InChIKeyNRKUZRFIJSCRHL-IPVFLDMMSA-N
InChIInChI=1S/C30H37N5O5S/c1-20-14-35(21(2)17-36)30(37)29-28(24-12-8-9-13-25(24)34(29)5)23-11-7-6-10-22(23)18-40-26(20)15-33(4)41(38,39)27-16-32(3)19-31-27/h6-13,16,19-21,26,36H,14-15,17-18H2,1-5H3/t20-,21-,26-/m1/s1
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1cn(C)cn1
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:102728
chebi:102728 		LSM-14074