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1-O-docosyl-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1034461 Image of MNXM1034461
referenceslm:000726850
formulaC73H133NO8P
global charge-1
mol weight1183.84
InChIKeyKDHFGHCFZXPQBZ-KLCZCCJJSA-M
InChIInChI=1S/C73H134NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-44-47-50-53-56-59-62-65-73(76)82-71(69-79-67-63-60-57-54-51-48-45-42-40-33-31-29-26-23-20-17-14-11-8-5-2)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,34,36-37,39,41,71H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35,38,40,42-70H2,1-3H3,(H,74,75)(H,77,78)/p-1/b10-7-,19-16-,28-25-,34-32-,37-36-,41-39-/t71-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C73H134NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-41-44-47-50-53-56-59-62-65-73(76)82-71(69-79-67-63-60-57-54-51-48-45-42-40-33-31-29-26-23-20-17-14-11-8-5-2)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-27-24-21-18-15-12-9-6-3/h7,10,16,19,25,28,32,34,36-37,39,41,71H,4-6,8-9,11-15,17-18,20-24,26-27,29-31,33,35,38,40,42-70H2,1-3H3,(H,74,75)(H,77,78)/b10-7-,19-16-,28-25-,34-32-,37-36-,41-39-/t71-/m1/s1 Image of MNXM1034461
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38]/[CH:39]=[CH:41]\[CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:73](=[O:76])[O:82][C@H:71]([CH2:69][O:79][CH2:67][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:40][CH2:33][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:70][O:81][P:83]([OH:77])(=[O:78])[O:80][CH2:68][CH2:66][N:74]=[C:72]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:75]
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:000726850
slm:000726850
KDHFGHCFZXPQBZ-KLCZCCJJSA-M
1-O-docosyl-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-docosyl-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-22:0/28:6(10Z,13Z,16Z,19Z,22Z,25Z)/18:0)