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1-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-2-pentadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM966854 Image of MNXM966854
referenceslm:000659239
formulaC70H125NO9P
global charge-1
mol weight1155.742
InChIKeyLEPILHZPDPEWOU-VVLPSALUSA-M
InChIInChI=1S/C70H126NO9P/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-47-49-52-55-58-61-69(73)77-65-67(80-70(74)62-59-56-53-50-46-24-21-18-15-12-9-6-3)66-79-81(75,76)78-64-63-71-68(72)60-57-54-51-48-45-43-41-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32-33,41,67H,4-15,18,21-24,28,31,34-40,42-66H2,1-3H3,(H,71,72)(H,75,76)/p-1/b19-16-,20-17-,27-25-,30-29-,33-32-,41-26-/t67-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C70H126NO9P/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-47-49-52-55-58-61-69(73)77-65-67(80-70(74)62-59-56-53-50-46-24-21-18-15-12-9-6-3)66-79-81(75,76)78-64-63-71-68(72)60-57-54-51-48-45-43-41-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-27,29-30,32-33,41,67H,4-15,18,21-24,28,31,34-40,42-66H2,1-3H3,(H,71,72)(H,75,76)/b19-16-,20-17-,27-25-,30-29-,33-32-,41-26-/t67-/m1/s1 Image of MNXM966854
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:47][CH2:49][CH2:52][CH2:55][CH2:58][CH2:61][C:69](=[O:73])[O:77][CH2:65][C@H:67]([CH2:66][O:79][P:81]([OH:75])(=[O:76])[O:78][CH2:64][CH2:63][N:71]=[C:68]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:43]/[CH:41]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:72])[O:80][C:70]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:46][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[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:000659239
slm:000659239
LEPILHZPDPEWOU-VVLPSALUSA-M
1-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-2-pentadecanoyl-sn-glycero-3-phospho-N-(9Z,12Z-octadecadienoyl)-ethanolamine
N-(9Z,12Z-octadecadienoyl)-1-(17Z,20Z,23Z,26Z-dotriacontatetraenoyl)-2-pentadecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (32:4(17Z,20Z,23Z,26Z)/15:0/18:2(9Z,12Z))