(Q27282308)

Trodusquemine (English)

14 October 2016

chemical formula

C₃₇H₇₂N₄O₅S

1 reference

Trodusquemine (English)

14 October 2016

canonical SMILES

CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)NCCCNCCCCNCCCN)C)O)C)OS(=O)(=O)O

1 reference

Trodusquemine (English)

14 October 2016

isomeric SMILES

C[C@H](CC[C@H](C(C)C)OS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@@H](C4)NCCCNCCCCNCCCN)C)O)C

1 reference

Aminosterols from the dogfish shark Squalus acanthias

Trodusquemine (English)

14 October 2016

2 references

Aminosterols from the dogfish shark Squalus acanthias

Identifiers

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

1 reference

Trodusquemine (English)

14 October 2016

1 reference

Global Substance Registration System

Trodusquemine (English)

14 October 2016

2 references

UNII

KKC12PIF16

trodusquemine (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=186139-09-3

9 April 2021

1 reference

trodusquemine (English)

14 October 2016

2 references

Trodusquemine (English)

14 October 2016

ChEBI ID

177502

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

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

1 reference

TRODUSQUEMINE (English)

14 October 2016

1 reference

1 reference

Guide to Pharmacology Ligand ID

9733

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB06333

1 reference

UNII

KKC12PIF16

2 references

Global Substance Registration System

UNII

KKC12PIF16

trodusquemine (English)

14 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

0 references

1 reference

15 January 2022