aspartyl adenylate beta-ketophosphonate isostere (Q27144403)

CHEBI:74089 (English)

8 October 2016

chemical formula

C₁₅H₂₁N₆O₉P

1 reference

CHEBI:74089 (English)

8 October 2016

canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(CC(=O)C(CC(=O)O)N)O)O)O

1 reference

CHEBI:74089 (English)

8 October 2016

isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)[C@H](CC(=O)O)N)O)O)O

1 reference

CHEBI:74089 (English)

InChI=1S/C15H21N6O9P/c16-6(1-9(23)24)7(22)3-31(27,28)29-2-8-11(25)12(26)15(30-8)21-5-20-10-13(17)18-4-19-14(10)21/h4-6,8,11-12,15,25-26H,1-3,16H2,(H,23,24)(H,27,28)(H2,17,18,19)/t6-,8+,11+,12+,15+/m0/s1

8 October 2016

Identifiers

InChI

1 reference

CHEBI:74089 (English)

KMYVNAQFBILXBR-WXGITVOHSA-N

8 October 2016

InChIKey

2 references

CHEBI:74089 (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-{[(3S)-3-Amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl}adenosine (English)

8 October 2016

2 references

CHEBI:74089 (English)

matched by identifier from

8 October 2016

InChIKey

KMYVNAQFBILXBR-WXGITVOHSA-N

ChEBI ID

74089

mapping relation type

2 references

aspartyl adenylate beta-ketophosphonate isostere (English)