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lipol-AMP

PropertiesImage
MNX_IDMNXM60213 Image of MNXM60213
referencemetacycM:LIPOL-AMP
formulaC18H27N5O7PS2
global charge-1
mol weight520.55
InChIKeyAQQBJOLQDSFFFH-AJKMGBEJSA-M
InChIInChI=1S/C18H28N5O7PS2/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(30-18)8-29-31(26,27)28-6-3-1-2-4-11-5-7-32-33-11/h9-12,14-15,18,24-25H,1-8H2,(H,26,27)(H2,19,20,21)/p-1/t11-,12-,14-,15-,18-/m1/s1
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OCCCCC[C@@H]4CCSS4)[C@@H](O)[C@H]3O)C2=NC=N1
MNX internals
InChI (mnx)InChI=1/C18H28N5O7PS2/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(30-18)8-29-31(26,27)28-6-3-1-2-4-11-5-7-32-33-11/h9-12,14-15,18,24-25H,1-8H2,(H,26,27)(H2,19,20,21)/t11-,12-,14-,15-,18-/m1/s1 Image of MNXM60213
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][C@@H:11]1[CH2:5][CH2:7][S:32][S:33]1)[CH2:3][CH2:6][O:28][P:31]([OH:26])(=[O:27])[O:29][CH2:8][C@@H:12]1[C@@H:14]([OH:24])[C@@H:15]([OH:25])[C@H:18]([N:23]2[CH:10]=[N:22][C:13]3=[C:16]([NH2:19])[N:20]=[CH:9][N:21]=[C:17]32)[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:LIPOL-AMP
metacycM:LIPOL-AMP
seed.compound:cpd27386
seedM:cpd27386
AQQBJOLQDSFFFH-AJKMGBEJSA-M 		lipol-AMP

seedM:M_cpd27386 		secondary/obsolete/fantasy identifier