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

apratoxin E

PropertiesImageOccurences in reactions
MNX_IDMNXM102787Image of MNXM102787
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC43H65N5O7S
charge0
mass795.46047
referencechebi:65422
InChIKeyRDPZVJUUVDDQSB-SXNBFALNSA-N
InChIInChI=1S/C43H65N5O7S/c1-11-28(3)38-41(52)48-23-13-15-34(48)42(53)55-35(43(5,6)7)24-27(2)14-12-16-37-44-31(26-56-37)19-22-36(49)45-33(25-30-17-20-32(54-10)21-18-30)40(51)46(8)29(4)39(50)47(38)9/h12,16-18,20-21,27-29,31,33-35,38H,11,13-15,19,22-26H2,1-10H3,(H,45,49)/b16-12-/t27-,28-,29-,31-,33-,34-,35-,38-/m0/s1
SMILESCC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C/C=C\C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:65422
chebi:65422 		apratoxin E
(3S,5S,7Z,12S,17S,20S,23S,28aS)-23-[(2S)-butan-2-yl]-3-tert-butyl-17-(4-methoxybenzyl)-5,19,20,22-tetramethyl-3,4,5,6,11,12,13,14,16,17,19,20,22,23,26,27,28,28a-octadecahydro-1H-12,9-(azeno)pyrrolo[2,1-c][1,19,4,7,10,13]oxathiatetraazacyclohexacosine-1,15,18,21,24-pentone