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1-O-(9Z-octadecenyl)-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1041536 Image of MNXM1041536
referenceslm:000733925
formulaC73H123NO8P
global charge-1
mol weight1173.76
InChIKeyFGLMCUYVJQJVRM-FBMYKMRMSA-M
InChIInChI=1S/C73H124NO8P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-73(76)82-71(69-79-67-63-60-57-54-51-48-45-30-27-24-21-18-15-12-9-6-3)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-41-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32-33,35-36,38-39,43,46,52,55,71H,4-6,8-9,11-15,18,21-24,31,34,37,40-42,44-45,47-51,53-54,56-70H2,1-3H3,(H,74,75)(H,77,78)/p-1/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,33-32-,36-35-,39-38-,46-43-,55-52-/t71-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C73H124NO8P/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-36-37-38-39-40-42-44-47-50-53-56-59-62-65-73(76)82-71(69-79-67-63-60-57-54-51-48-45-30-27-24-21-18-15-12-9-6-3)70-81-83(77,78)80-68-66-74-72(75)64-61-58-55-52-49-46-43-41-29-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,25-30,32-33,35-36,38-39,43,46,52,55,71H,4-6,8-9,11-15,18,21-24,31,34,37,40-42,44-45,47-51,53-54,56-70H2,1-3H3,(H,74,75)(H,77,78)/b10-7-,19-16-,20-17-,28-25-,29-26-,30-27-,33-32-,36-35-,39-38-,46-43-,55-52-/t71-/m1/s1 Image of MNXM1041536
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34]/[CH:35]=[CH:36]\[CH2:37]/[CH:38]=[CH:39]\[CH2:40][CH2:42][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]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[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]/[CH:55]=[CH:52]\[CH2:49]/[CH:46]=[CH:43]\[CH2:41]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[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:000733925
slm:000733925
FGLMCUYVJQJVRM-FBMYKMRMSA-M 		1-O-(9Z-octadecenyl)-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-1-O-(9Z-octadecenyl)-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-18:1(9Z)/30:6(12Z,15Z,18Z,21Z,24Z,27Z)/20:4(5Z,8Z,11Z,14Z))