Search MNXref
 Feedback

D-alanyl-5'-AMP

PropertiesImage
MNX_IDMNXM164704 Image of MNXM164704
referencechebi:138619
formulaC13H19N6O8P
global charge0
mol weight418.303
InChIKeyISYFCRWDMNBLTM-VQPBACBFSA-N
InChIInChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6-,8-,9-,12-/m1/s1
SMILESC[C@@H]([NH3+])C(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6-,8-,9-,12-/m1/s1 Image of MNXM164704
SMILES (mnx)[CH3:1][C@H:5]([C:13](=[O:22])[O:27][P:28]([OH:23])(=[O:24])[O:25][CH2:2][C@@H:6]1[C@@H:8]([OH:20])[C@@H:9]([OH:21])[C@H:12]([N:19]2[CH:4]=[N:18][C:7]3=[C:10]([NH2:15])[N:16]=[CH:3][N:17]=[C:11]32)[O:26]1)[NH2:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138619
chebi:138619
ISYFCRWDMNBLTM-VQPBACBFSA-N 		D-alanyl-5'-AMP
5'-O-({[(2R)-2-azaniumylpropanoyl]oxy}phosphinato)adenosine
D-alanyl adenylate zwitterion
D-alanyl-AMP zwitterion

metacyc.compound:CPD-19306
metacycM:CPD-19306
seed.compound:cpd33085
seedM:cpd33085
ISYFCRWDMNBLTM-VQPBACBFSA-N 		(D-alanyl)adenylate

CHEBI:139296
chebi:139296
ISYFCRWDMNBLTM-VQPBACBFSA-N 		D-alanyl-AMP
5'-O-[{[(2R)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
D-alanyl adenylate

seedM:M_cpd33085 		secondary/obsolete/fantasy identifier