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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32N5O19P
Molecular Weight 701.4853
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THURINGIENSIN

SMILES

NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO[C@@H]4[C@@H](CO)O[C@H](O[C@H]([C@H](O)[C@H](OP(O)(O)=O)[C@H](O)C(O)=O)C(O)=O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O

InChI

InChIKey=OTLLEIBWKHEHGU-TUNUFRSWSA-N
InChI=1S/C22H32N5O19P/c23-17-7-18(25-3-24-17)27(4-26-7)19-10(31)8(29)6(43-19)2-42-14-5(1-28)44-22(11(32)9(14)30)45-16(21(37)38)12(33)15(13(34)20(35)36)46-47(39,40)41/h3-6,8-16,19,22,28-34H,1-2H2,(H,35,36)(H,37,38)(H2,23,24,25)(H2,39,40,41)/t5-,6-,8-,9-,10-,11-,12-,13+,14-,15+,16-,19-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H32N5O19P
Molecular Weight 701.4853
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
JBU770V87C
Record Status Validated (UNII)
Record Version