(Q125617307)

English

methyl (1S,3R,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

439.1339272519999 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,3S,4S,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

1 reference

1 reference

C₁₇H₂₁N₅O₉

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canonical SMILES

O=C(OC)C1OC2CC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3OC2(O)C(O)C1O

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isomeric SMILES

COC(=O)[C@H]1O[C@@H]2C[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O[C@@]2(O)[C@@H](O)[C@@H]1O

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found in taxon

Streptomyces

1 reference

stated in

Herbicidins from Streptomyces sp. CB01388 Showing Anti- Cryptosporidium Activity.

Identifiers

InChI

InChI=1S/C17H21N5O9/c1-28-16(26)11-8(23)12(25)17(27)6(30-11)2-5-10(31-17)9(24)15(29-5)22-4-21-7-13(18)19-3-20-14(7)22/h3-6,8-12,15,23-25,27H,2H2,1H3,(H2,18,19,20)/t5-,6-,8-,9-,10+,11+,12+,15-,17-/m1/s1

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InChIKey

OEWSVQOLWMAJBV-PRSVBILDSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

OEWSVQOLWMAJBV-PRSVBILDSA-N

(Q125617307)

methyl (1S,3R,4R,5R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

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Identifiers

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