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name Structure Reference Source Properties Activities Metabolism

[(2R,3R,6R)-6-[(1S,2S,5S,7R,9R,10R,11S,14R,15R)-5-({3-[(4-aminobutyl)amino]propyl}amino)-9-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-3-hydroxy-2-methylheptyl]oxysulfonic acid

AlkaPlorer ID: AK037482

Synonym: None

IUPAC Name: [(2R,3R,6R)-6-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3-[3-(4-aminobutylamino)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]-3-hydroxy-2-methylheptyl] hydrogen sulfate

Structure

SMILES: C[C@H](COS(=O)(=O)O)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H](NCCCNCCCCN)CC[C@]4(C)[C@H]3CC[C@]12C

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InChI: InChI=1S/C34H65N3O6S/c1-23(8-11-30(38)24(2)22-43-44(40,41)42)27-9-10-28-32-29(13-15-34(27,28)4)33(3)14-12-26(20-25(33)21-31(32)39)37-19-7-18-36-17-6-5-16-35/h23-32,36-39H,5-22,35H2,1-4H3,(H,40,41,42)/t23-,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1

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InChIKey: BBVHNXGALDVEEE-BAHFKYBUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Squalus acanthias Squalus Squalidae Squaliformes Chondrichthyes Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 643.9759999999999

TPSA？: 154.14

MolLogP？: 4.525600000000003

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information