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1-O-octacosyl-2-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-sn-glycero-3-phospho-N-decanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1038335 Image of MNXM1038335
referenceslm:000730724
formulaC71H131NO8P
global charge-1
mol weight1157.802
InChIKeyKCJTWDDKKFXWHZ-LNEIFFIESA-M
InChIInChI=1S/C71H132NO8P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-55-58-61-65-77-67-69(68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-15-12-9-6-3)80-71(74)63-60-57-54-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h17,19,23,25,29,31,35,37,41,43,69H,4-16,18,20-22,24,26-28,30,32-34,36,38-40,42,44-68H2,1-3H3,(H,72,73)(H,75,76)/p-1/b19-17-,25-23-,31-29-,37-35-,43-41-/t69-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C71H132NO8P/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46-48-50-52-55-58-61-65-77-67-69(68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-15-12-9-6-3)80-71(74)63-60-57-54-51-49-47-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h17,19,23,25,29,31,35,37,41,43,69H,4-16,18,20-22,24,26-28,30,32-34,36,38-40,42,44-68H2,1-3H3,(H,72,73)(H,75,76)/b19-17-,25-23-,31-29-,37-35-,43-41-/t69-/m1/s1 Image of MNXM1038335
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:55][CH2:58][CH2:61][CH2:65][O:77][CH2:67][C@H:69]([CH2:68][O:79][P:81]([OH:75])(=[O:76])[O:78][CH2:66][CH2:64][N:72]=[C:70]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:73])[O:80][C:71]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:49][CH2:47][CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:31]=[CH:29]\[CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:74]
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:000730724
slm:000730724
KCJTWDDKKFXWHZ-LNEIFFIESA-M
1-O-octacosyl-2-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-sn-glycero-3-phospho-N-decanoyl-ethanolamine
N-decanoyl-1-O-octacosyl-2-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-28:0/28:5(10Z,13Z,16Z,19Z,22Z)/10:0)