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1-O-(13Z-docosenyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1043870 Image of MNXM1043870
referenceslm:000736259
formulaC73H125NO8P
global charge-1
mol weight1175.776
InChIKeyMWBHAOGNWRQARL-WITISGEASA-M
InChIInChI=1S/C73H126NO8P/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/h7,9-10,12,16,18-19,21,25-29,32,34,36-37,39,41,43,71H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,38,40,42,44-70H2,1-3H3,(H,74,75)(H,77,78)/p-1/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,37-36-,41-39-,43-27-/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](COCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C73H126NO8P/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/h7,9-10,12,16,18-19,21,25-29,32,34,36-37,39,41,43,71H,4-6,8,11,13-15,17,20,22-24,30-31,33,35,38,40,42,44-70H2,1-3H3,(H,74,75)(H,77,78)/b10-7-,12-9-,19-16-,21-18-,28-25-,29-26-,34-32-,37-36-,41-39-,43-27-/t71-/m1/s1 Image of MNXM1043870
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]/[CH:29]=[CH: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]/[CH:43]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH: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:000736259
slm:000736259
MWBHAOGNWRQARL-WITISGEASA-M
1-O-(13Z-docosenyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-O-(13Z-docosenyl)-2-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-22:1(13Z)/28:6(10Z,13Z,16Z,19Z,22Z,25Z)/18:3(9Z,12Z,15Z))