(Q82401752)

English

(2R)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

384.1215887399999 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2-amino-4-[[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

S-adenosyl-L-homocysteine

1 reference

based on heuristic

inferred from InChI

S-adenosyl-L-homocysteine zwitterion

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₀N₆O₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7-,9-,10-,13-/m1/s1

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InChIKey

ZJUKTBDSGOFHSH-KWGHVAAJSA-N

0 references

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2 references

26 December 2021

matched by identifier from

InChIKey

ZJUKTBDSGOFHSH-KWGHVAAJSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZJUKTBDSGOFHSH-KWGHVAAJSA-N

DSSTOX compound identifier

DTXCID60481331

0 references

(Q82401752)

(2R)-2-Amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

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