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octadecanoyl-AMP

PropertiesImage
MNX_IDMNXM169132 Image of MNXM169132
referencechebi:142984
formulaC28H47N5O8P
global charge-1
mol weight612.685
InChIKeySWOLRYFPKWBFHG-VGSCBBJJSA-M
InChIInChI=1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/p-1/t21-,24-,25-,28-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 Image of MNXM169132
SMILES (mnx)[CH2:1]([CH2:2][CH2:3][CH2:4][O:36][O:37][O:38][O:39][O:40][OH:41])[O:35][O:34][NH:33][NH:29][CH2:28][NH:31][NH:30][N:32]([CH2:26][C:24]([CH2:22][CH2:27][C@H:17]1[CH2:16][CH:15]([CH:14]2[c:10]3[cH:9][cH:8][cH:7][c:6]([CH3:5])[c:11]3[CH:12]=[CH:13]2)[C@H:20]([CH3:21])[C@@H:18]1[CH3:19])(=[CH2:23])[CH3:25])=[PH:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142984
chebi:142984
SWOLRYFPKWBFHG-VGSCBBJJSA-M 		octadecanoyl-AMP
octadecanoyl-AMP(1-)

kegg.compound:C22132
keggC:C22132
SWOLRYFPKWBFHG-VGSCBBJJSA-N 		(Stearoyl)adenylate

CHEBI:182160
chebi:182160
SWOLRYFPKWBFHG-VGSCBBJJSA-N 		(Stearoyl)adenylate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] octadecanoate

seed.compound:cpd33306
seedM:cpd33306
SWOLRYFPKWBFHG-VGSCBBJJSA-M 		(octadecanoyl)adenylate
(stearoyl)adenylate

metacyc.compound:CPD-18712
metacycM:CPD-18712
SWOLRYFPKWBFHG-VGSCBBJJSA-M 		(stearoyl)adenylate
(octadecanoyl)adenylate

lipidmaps:LMFA07080002
lipidmapsM:LMFA07080002
SWOLRYFPKWBFHG-VGSCBBJJSA-N 		Stearoyl adenylate
AMP 18:0
O-octadecanoyl-adenosine monophosphate

keggC:M_C22132
seedM:M_cpd33306 		secondary/obsolete/fantasy identifier