(Q105154958)

English

methyl (1S,3R,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-[(E)-2-(hydroxymethyl)but-2-enoyl]oxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

551.186356748 dalton

1 reference

1 reference

C₂₃H₂₉N₅O₁₁

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canonical SMILES

O=C(OC1C(O)C(OC2CC3OC(N4C=NC=5C(=NC=NC54)N)C(OC)C3OC21O)C(=O)OC)C(=CC)CO

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isomeric SMILES

C/C=C(\CO)C(=O)O[C@H]1[C@H](O)[C@@H](C(=O)OC)O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](OC)[C@@H]3O[C@]12O

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found in taxon

Streptomyces

3 references

stated in

Isolation and characterization of satellite antibiotics, mimosamycin and chlorocarcins from Streptomyces lavendulae, streptothricin source

stated in

Inhibition of Bacterial RNA Polymerases. Peptide Metabolites from the Cultures ofStreptomycessp.

stated in

Herbicidins A and B, two new antibiotics with herbicidal activity II. Fermentation, isolation and physico-chemical characterization

Identifiers

InChI

InChI=1S/C23H29N5O11/c1-4-9(6-29)21(31)38-17-13(30)15(22(32)35-3)37-11-5-10-14(39-23(11,17)33)16(34-2)20(36-10)28-8-27-12-18(24)25-7-26-19(12)28/h4,7-8,10-11,13-17,20,29-30,33H,5-6H2,1-3H3,(H2,24,25,26)/b9-4+/t10-,11-,13-,14-,15+,16+,17+,20-,23+/m1/s1

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InChIKey

LOWKANMKNQBRPJ-WAAAKSMCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOWKANMKNQBRPJ-WAAAKSMCSA-N

ChEBI ID

223906

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C23H29N5O11/c1-4-9(6-29)21(31)38-17-13(30)15(22(32)35-3)37-11-5-10-14(39-23(11,17)33)16(34-2)20(36-10)28-8-27-12-18(24)25-7-26-19(12)28/h4,7-8,10-11,13-17,20,29-30,33H,5-6H2,1-3H3,(H2,24,25,26)/b9-4+/t10-,11-,13-,14-,15+,16+,17+,20-,23+/m1/s1

1 reference

Natural Product Atlas ID

NPA021140

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LOWKANMKNQBRPJ-WAAAKSMCSA-N

(Q105154958)

methyl (1S,3R,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12-dihydroxy-13-[(E)-2-(hydroxymethyl)but-2-enoyl]oxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

Statements

Identifiers

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