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1-dodecanoyl-2-octacosanoyl-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM352322 Image of MNXM352322
referenceslm:000035307
formulaC45H90NO8P
global charge0
mol weight804.188
InChIKeyLRNQJWUDDRIEPH-VZUYHUTRSA-N
InChIInChI=1S/C45H90NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C45H90NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-12-10-8-6-4-2/h43H,3-42,46H2,1-2H3,(H,49,50)/t43-/m1/s1 Image of MNXM352322
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:45](=[O:48])[O:54][C@H:43]([CH2:41][O:51][C:44]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:47])[CH2:42][O:53][P:55]([OH:49])(=[O:50])[O:52][CH2:40][CH2:39][NH2:46]
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

SLM:000035307
slm:000035307
LRNQJWUDDRIEPH-VZUYHUTRSA-N
1-dodecanoyl-2-octacosanoyl-sn-glycero-3-phosphoethanolamine
PE(12:0/28:0)
Phosphatidylethanolamine (12:0/28:0)