Concept information
Preferred term
trodusquemine
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C37H72N4O5S
inchi
- InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1
inchikey
- WUJVPODXELZABP-FWJXURDUSA-N
mass
- 685.070
monoisotopicmass
- 684.52234
smiles
- S(O[C@H](CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@@](C[C@H]3O)(C[C@@H](NCCCNCCCCNCCCN)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C)C(C)C)(O)(=O)=O
subset
- 2_STAR
synonym EXACT
- [(3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-[4-(3-aminopropylamino)butylamino]propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] hydrogen sulate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:177502
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