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1-O-docosyl-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1034908 Image of MNXM1034908
referenceslm:000727297
formulaC63H123NO8P
global charge-1
mol weight1053.65
InChIKeyODHPXKSYCHXRTM-KKLCZKKPSA-M
InChIInChI=1S/C63H124NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-57-69-59-61(72-63(66)55-52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2)60-71-73(67,68)70-58-56-64-62(65)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3/h26,28,61H,4-25,27,29-60H2,1-3H3,(H,64,65)(H,67,68)/p-1/b28-26-/t61-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H124NO8P/c1-4-7-10-13-16-19-22-25-27-29-30-31-33-35-38-41-44-47-50-53-57-69-59-61(72-63(66)55-52-49-46-43-40-37-34-32-28-26-23-20-17-14-11-8-5-2)60-71-73(67,68)70-58-56-64-62(65)54-51-48-45-42-39-36-24-21-18-15-12-9-6-3/h26,28,61H,4-25,27,29-60H2,1-3H3,(H,64,65)(H,67,68)/b28-26-/t61-/m1/s1 Image of MNXM1034908
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:57][O:69][CH2:59][C@H:61]([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][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65])[O:72][C:63]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:32]/[CH:28]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66]
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:000727297
slm:000727297
ODHPXKSYCHXRTM-KKLCZKKPSA-M
1-O-docosyl-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-O-docosyl-2-(11Z-eicosenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-22:0/20:1(11Z)/16:0)