(Q27134758)

CHEBI:66220 (English)

7 October 2016

chemical formula

C₃₀H₄₄N₂O₉S₂

1 reference

CHEBI:66220 (English)

7 October 2016

canonical SMILES

CC(C=CCC1COC(C(C1O)O)C(C(=CC(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)C)O)C(C)O

1 reference

CHEBI:66220 (English)

7 October 2016

isomeric SMILES

C[C@H](/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)[C@@H](/C(=C/C(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)/C)O)[C@H](C)O

1 reference

Thiomarinol, a new hybrid antimicrobial antibiotic produced by a marine bacterium. Fermentation, isolation, structure, and antimicrobial activity.

CHEBI:66220 (English)

7 October 2016

2 references

stated in

Thiomarinols B and C,New Antimicrobial Antibiotics Produced by a Marine Bacterium

Identifiers

InChI

InChI=1S/C30H44N2O9S2/c1-17(19(3)33)10-9-11-20-15-41-28(27(38)26(20)37)25(36)18(2)14-23(35)40-13-8-6-4-5-7-12-22(34)32-24-29-21(16-42-43-29)31-30(24)39/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20+,25-,26-,27-,28+/m1/s1

1 reference

CHEBI:66220 (English)

7 October 2016

2 references

CHEBI:66220 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

thiomarinol A (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=146697-04-3

9 April 2021

1 reference

thiomarinol A (English)

7 October 2016

2 references

CHEBI:66220 (English)

matched by identifier from

7 October 2016

ChEBI ID

66220

mapping relation type

2 references

thiomarinol A (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H44N2O9S2/c1-17(19(3)33)10-9-11-20-15-41-28(27(38)26(20)37)25(36)18(2)14-23(35)40-13-8-6-4-5-7-12-22(34)32-24-29-21(16-42-43-29)31-30(24)39/h9-10,14,16-17,19-20,25-28,33,36-38H,4-8,11-13,15H2,1-3H3,(H,31,39)(H,32,34)/b10-9+,18-14+/t17-,19+,20+,25-,26-,27-,28+/m1/s1

1 reference

1 reference

matched by identifier from