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1-O-docosyl-2-(14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1035116 Image of MNXM1035116
referenceslm:000727505
formulaC71H131NO8P
global charge-1
mol weight1157.802
InChIKeyHSRJIXWGRNQYGW-ZLKZTTSJSA-M
InChIInChI=1S/C71H132NO8P/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-40-42-44-46-48-51-54-57-60-63-71(74)80-69(68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-50-18-15-12-9-6-3)67-77-65-61-58-55-52-49-47-45-43-41-30-28-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,29,31,33-34,36-37,69H,4-15,17-18,20-22,24,26-28,30,32,35,38-68H2,1-3H3,(H,72,73)(H,75,76)/p-1/b19-16-,25-23-,31-29-,34-33-,37-36-/t69-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C71H132NO8P/c1-4-7-10-13-16-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-40-42-44-46-48-51-54-57-60-63-71(74)80-69(68-79-81(75,76)78-66-64-72-70(73)62-59-56-53-50-18-15-12-9-6-3)67-77-65-61-58-55-52-49-47-45-43-41-30-28-26-24-22-20-17-14-11-8-5-2/h16,19,23,25,29,31,33-34,36-37,69H,4-15,17-18,20-22,24,26-28,30,32,35,38-68H2,1-3H3,(H,72,73)(H,75,76)/b19-16-,25-23-,31-29-,34-33-,37-36-/t69-/m1/s1 Image of MNXM1035116
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][C:71](=[O:74])[O:80][C@H:69]([CH2:67][O:77][CH2:65][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[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][CH2:50][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:73]
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:000727505
slm:000727505
HSRJIXWGRNQYGW-ZLKZTTSJSA-M
1-O-docosyl-2-(14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-O-docosyl-2-(14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-22:0/32:5(14Z,17Z,20Z,23Z,26Z)/12:0)