(Q27124704)

CHEBI:57458 (English)

6 October 2016

chemical formula

C₂₁H₃₀N₇O₁₅P₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1CC(=C[NH+](C1O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

1 reference

CHEBI:57458 (English)

6 October 2016

isomeric SMILES

C1CC(=C[NH+]([C@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N

1 reference

CHEBI:57458 (English)

InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/p-1/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:57458 (English)

IDBZKGQRLBFUFQ-VPHRTNKSSA-M

6 October 2016

InChIKey

2 references

CHEBI:57458 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(S)-NADHX(1-) (English)

6 October 2016

1 reference

CHEBI:57458 (English)

6 October 2016

ChEBI ID

57458

mapping relation type

1 reference