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lipoyl-AMP

MNXM2392 is deprecated and here replaced by MNXM1104314
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104314 Image of MNXM1104314
referencechebi:55451
formulaC18H26N5O8PS2
global charge0
mol weight535.541
InChIKeyQWEGOCJRZOKSOE-NLJBGGCZSA-N
InChIInChI=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)/t10?,11-,14-,15-,18-/m1/s1
SMILESNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)CCCCC2CCSS2)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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)/t10?,11-,14-,15-,18-/m1/s1 Image of MNXM1104314
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C:12](=[O:24])[O:31][P:32]([OH:27])(=[O:28])[O:29][CH2:7][C@@H:11]1[C@@H:14]([OH:25])[C@@H:15]([OH:26])[C@H:18]([N:23]2[CH:9]=[N:22][C:13]3=[C:16]([NH2:19])[N:20]=[CH:8][N:21]=[C:17]32)[O:30]1)[CH2:3][CH:10]1[CH2:5][CH2:6][S:33][S:34]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:55451
chebi:55451
QWEGOCJRZOKSOE-NLJBGGCZSA-N 		lipoyl-AMP
5'-O-[{[5-(1,2-dithiolan-3-yl)pentanoyl]oxy}(hydroxy)phosphoryl]adenosine
Lipoyl-AMP

bigg.metabolite:CE5656
biggM:CE5656
QWEGOCJRZOKSOE-NLJBGGCZSA-M 		Lipoyl-AMP(1-)
hmdb:HMDB0059635
QWEGOCJRZOKSOE-NLJBGGCZSA-N 		Lipoyl-AMP
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[5-(1,2-dithiolan-3-yl)pentanoyl]oxy})phosphinic acid

CHEBI:58923
chebi:58923
QWEGOCJRZOKSOE-NLJBGGCZSA-M 		lipoyl-AMP(1-)
5'-O-({[5-(1,2-dithiolan-3-yl)pentanoyl]oxy}phosphinato)adenosine
lipoyl-AMP anion

vmhM:CE5656
vmhmetabolite:CE5656
QWEGOCJRZOKSOE-NLJBGGCZSA-M 		lipoyl-AMP(1-)
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[5-(1,2-dithiolan-3-yl)pentanoyl]oxy})phosphinic acid

hmdb:HMDB59635
biggM:M_CE5656
vmhM:M_CE5656 		secondary/obsolete/fantasy identifier