(Q27156630)

1 February 2021

mass

534.088±0 dalton

1 reference

lipoyl-adenylate (English)

9 October 2016

chemical formula

C₁₈H₂₅N₅O₈PS₂⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1CSSC1CCCCC(=O)OP(=O)([O-])OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

1 reference

lipoyl-adenylate (English)

9 October 2016

isomeric SMILES

C1CSS[C@@H]1CCCCC(=O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O

1 reference

lipoyl-adenylate (English)

InChI=1S/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)/p-1/t10-,11-,14-,15-,18-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

lipoyl-adenylate (English)

QWEGOCJRZOKSOE-ADUAKINBSA-M

9 October 2016

InChIKey

2 references

lipoyl-adenylate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-[({5-[(3R)-1,2-Dithiolan-3-yl]pentanoyl}oxy)phosphinato]adenosine (English)

9 October 2016

2 references

lipoyl-adenylate (English)

matched by identifier from

9 October 2016

InChIKey

QWEGOCJRZOKSOE-ADUAKINBSA-M

ChEBI ID

83091

mapping relation type

2 references

(R)-lipoyl-AMP(1-) (English)