(Q27160077)

English

2-hydro-beta-NAD(2-)

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

663.11021896382 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₇N₇O₁₄P₂²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1C(=CC=CN1C2C(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

language of work or name

1,2-dihydro-beta-NAD (English)

9 October 2016

isomeric SMILES

C1C(=CC=CN1[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

language of work or name

1,2-dihydro-beta-NAD (English)

9 October 2016

Identifiers

InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-3,7-8,10-11,13-16,20-21,29-32H,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

1 reference

language of work or name

1,2-dihydro-beta-NAD (English)

9 October 2016

TVJJIHUATXWSJG-NNYOXOHSSA-L

2 references

language of work or name

1,2-dihydro-beta-NAD (English)

9 October 2016

ChEBI release 2020-09-01

2 references

language of work or name

1,2-dihydro-beta-NAD (English)

9 October 2016

matched by identifier from

TVJJIHUATXWSJG-NNYOXOHSSA-L

Reaxys registry number

22965075

1 reference

language of work or name

2-hydro-beta-NAD(2-) (English)

9 October 2016

mapping relation type

2 references

language of work or name

2-hydro-beta-NAD(2-) (English)

9 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-3,7-8,10-11,13-16,20-21,29-32H,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

UniChem compound ID

1 reference

Sitelinks

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