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2-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:1)

PropertiesImage
MNX_IDMNXM3447 Image of MNXM3447
referencebiggM:2agpe141
formulaC19H38NO7P
global charge0
mol weight423.487
InChIKeyRBKXDGUVZHKXHJ-UHFFFAOYSA-N
InChIInChI=1S/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h7-8,18,21H,2-6,9-17,20H2,1H3,(H,23,24)
SMILESCCCCCCC=CCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C19H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)25-16-18(21)17-27-28(23,24)26-15-14-20/h7-8,18,21H,2-6,9-17,20H2,1H3,(H,23,24)/b8-7?/t18? Image of MNXM3447
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:19](=[O:22])[O:25][CH2:16][CH:18]([CH2:17][O:27][P:28]([OH:23])(=[O:24])[O:26][CH2:15][CH2:14][NH2:20])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:2agpe141
biggM:2agpe141
RBKXDGUVZHKXHJ-UHFFFAOYSA-N
2-Acyl-sn-glycero-3-phosphoethanolamine (n-C14:1)

biggM:M_2agpe141
secondary/obsolete/fantasy identifier