HP_dp06_0001

Properties Image Occurences in reactions MNX_ID MNXM745599 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C36H57N3O57S9 charge 0 mass 1730.91402 reference chebi:138710 InChIKey OQPBDGAWBQTHPM-YKPGFUNCSA-N InChI InChI=1S/C36H57N3O57S9/c40-5-1-6(28(46)47)84-34(18(5)94-103(71,72)73)87-20-8(3-81-101(65,66)67)85-32(11(14(20)42)38-98(56,57)58)90-23-17(45)25(96-105(77,78)79)36(93-27(23)30(50)51)89-21-9(4-82-102(68,69)70)86-33(12(15(21)43)39-99(59,60)61)91-22-16(44)24(95-104(74,75)76)35(92-26(22)29(48)49)88-19-7(2-80-100(62,63)64)83-31(52)10(13(19)41)37-97(53,54)55/h1,5,7-27,31-45,52H,2-4H2,(H,46,47)(H,48,49)(H,50,51)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)/t5-,7+,8+,9+,10+,11+,12+,13+,14+,15+,16-,17-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+,31-,32+,33+,34-,35+,36+/m0/s1 SMILES O=C(O)C1=C[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]2[C@@H](COS(=O)(=O)O)O[C@H](O[C@H]3[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]4[C@@H](COS(=O)(=O)O)O[C@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@H](O[C@@H]6[C@@H](COS(=O)(=O)O)O[C@H](O)[C@H](NS(=O)(=O)O)[C@H]6O)O[C@H]5C(=O)O)[C@H](NS(=O)(=O)O)[C@H]4O)O[C@H]3C(=O)O)[C@H](NS(=O)(=O)O)[C@H]2O)O1

Parent-child relations graph

Deprecated MNXref IDs graph