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1-O-docosyl-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1034960 Image of MNXM1034960
referenceslm:000727349
formulaC51H99NO8P
global charge-1
mol weight885.326
InChIKeyLQGPJVDMJHKVCD-XPMHTDMDSA-M
InChIInChI=1S/C51H100NO8P/c1-4-7-10-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-38-41-45-57-47-49(48-59-61(55,56)58-46-44-52-50(53)42-39-36-12-9-6-3)60-51(54)43-40-37-34-32-30-28-20-18-16-14-11-8-5-2/h30,32,49H,4-29,31,33-48H2,1-3H3,(H,52,53)(H,55,56)/p-1/b32-30-/t49-/m1/s1
SMILESCCCCCCCCC/C=C\CCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H100NO8P/c1-4-7-10-13-15-17-19-21-22-23-24-25-26-27-29-31-33-35-38-41-45-57-47-49(48-59-61(55,56)58-46-44-52-50(53)42-39-36-12-9-6-3)60-51(54)43-40-37-34-32-30-28-20-18-16-14-11-8-5-2/h30,32,49H,4-29,31,33-48H2,1-3H3,(H,52,53)(H,55,56)/b32-30-/t49-/m1/s1 Image of MNXM1034960
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:45][O:57][CH2:47][C@H:49]([CH2:48][O:59][P:61]([OH:55])(=[O:56])[O:58][CH2:46][CH2:44][N:52]=[C:50]([CH2:42][CH2:39][CH2:36][CH2:12][CH2:9][CH2:6][CH3:3])[OH:53])[O:60][C:51]([CH2:43][CH2:40][CH2:37][CH2:34]/[CH:32]=[CH:30]\[CH2:28][CH2:20][CH2:18][CH2:16][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:54]
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:000727349
slm:000727349
LQGPJVDMJHKVCD-XPMHTDMDSA-M
1-O-docosyl-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-docosyl-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-22:0/16:1(6Z)/8:0)