(Q105190797)

English

2-[[9-[3,4-Dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid

group of stereoisomers with the chemical formula C₁₄H₁₈N₅O₁₁P

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instance of

group of stereoisomers

0 references

1 reference

463.074043026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₁₈N₅O₁₁P

0 references

canonical SMILES

O=C(O)CC(NC1=NC=NC2=C1N=CN2C3OC(COP(=O)(O)O)C(O)C3O)C(=O)O

0 references

found in taxon

Escherichia coli

1 reference

stated in

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Homo sapiens

1 reference

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)

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InChIKey

OFBHPPMPBOJXRT-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OFBHPPMPBOJXRT-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0248010

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OFBHPPMPBOJXRT-UHFFFAOYSA-N

(Q105190797)

2-[[9-[3,4-Dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid

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