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octadecanoyl-AMP

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM169132

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₈H₄₇N₅O₈P

charge

-1

mass

612.684

reference

chebi:142984

InChIKey

SWOLRYFPKWBFHG-VGSCBBJJSA-M

InChI

InChI=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

SMILES

[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:22](=[O:34])[O:41][P:42]([OH:37])(=[O:38])[O:39][CH2:18][C@@H:21]1[C@@H:24]([OH:35])[C@@H:25]([OH:36])[C@H:28]([n:33]2[cH:20][n:32][c:23]3[c:26]([NH2:29])[n:30][cH:19][n:31][c:27]32)[O:40]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:142984 chebi:142984	octadecanoyl-AMP octadecanoyl-AMP(1-)
kegg.compound:C22132 keggC:C22132	(Stearoyl)adenylate
CHEBI:182160 chebi:182160	(Stearoyl)adenylate [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] octadecanoate
seed.compound:cpd33306 seedM:cpd33306	(octadecanoyl)adenylate (stearoyl)adenylate
metacyc.compound:CPD-18712 metacycM:CPD-18712	(stearoyl)adenylate (octadecanoyl)adenylate
lipidmaps:LMFA07080002 lipidmapsM:LMFA07080002	Stearoyl adenylate AMP 18:0 O-octadecanoyl-adenosine monophosphate
keggC:M_C22132 seedM:M_cpd33306	secondary/obsolete/fantasy identifier