carbamoyl adenylate(1-) (Q27143844)

carbamoyl adenylate (English)

7 October 2016

chemical formula

C₁₁H₁₄N₆O₈P⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)([O-])OC(=O)N)O)O

1 reference

carbamoyl adenylate (English)

7 October 2016

isomeric SMILES

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

1 reference

carbamoyl adenylate (English)

InChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/p-1/t4-,6-,7-,10-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

carbamoyl adenylate (English)

CHSNPOFVFYPELH-KQYNXXCUSA-M

7 October 2016

InChIKey

2 references

carbamoyl adenylate (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-[(Carbamoyloxy)phosphinato]adenosine (English)

7 October 2016

2 references

carbamoyl adenylate (English)

matched by identifier from

7 October 2016

InChIKey

CHSNPOFVFYPELH-KQYNXXCUSA-M

ChEBI ID

73674

mapping relation type

2 references

carbamoyl adenylate(1-) (English)