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1-O-(13Z-octadecenyl)-2-docosanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1045913 Image of MNXM1045913
referenceslm:000738302
formulaC63H123NO8P
global charge-1
mol weight1053.65
InChIKeyQUSNJFFATASLNI-LGEKLCHRSA-M
InChIInChI=1S/C63H124NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-63(66)72-61(59-69-57-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)60-71-73(67,68)70-58-56-64-62(65)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h14,17,61H,4-13,15-16,18-60H2,1-3H3,(H,64,65)(H,67,68)/p-1/b17-14-/t61-/m1/s1
SMILESCCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H124NO8P/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-63(66)72-61(59-69-57-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)60-71-73(67,68)70-58-56-64-62(65)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h14,17,61H,4-13,15-16,18-60H2,1-3H3,(H,64,65)(H,67,68)/b17-14-/t61-/m1/s1 Image of MNXM1045913
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:31][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:63](=[O:66])[O:72][C@H:61]([CH2:59][O:69][CH2:57][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:29][CH2:26][CH2:23][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])[CH2:60][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:58][CH2:56][N:64]=[C:62]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65]
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:000738302
slm:000738302
QUSNJFFATASLNI-LGEKLCHRSA-M
1-O-(13Z-octadecenyl)-2-docosanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-(13Z-octadecenyl)-2-docosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(13Z)/22:0/18:0)