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1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-octanoyl-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM938814 Image of MNXM938814
referenceslm:000631199
formulaC69H117NO9P
global charge-1
mol weight1135.667
InChIKeyFZQSEHNZZBAGMS-HPMTYBRTSA-M
InChIInChI=1S/C69H118NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-55-57-60-68(72)76-64-66(79-69(73)61-58-53-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-54-51-49-47-45-43-41-24-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-24,26-27,29-30,43,45,49,51,66H,4-6,8-9,11-14,19-20,25,28,31-42,44,46-48,50,52-65H2,1-3H3,(H,70,71)(H,74,75)/p-1/b10-7-,17-15-,18-16-,23-21-,24-22-,27-26-,30-29-,45-43-,51-49-/t66-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H118NO9P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-55-57-60-68(72)76-64-66(79-69(73)61-58-53-12-9-6-3)65-78-80(74,75)77-63-62-70-67(71)59-56-54-51-49-47-45-43-41-24-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-24,26-27,29-30,43,45,49,51,66H,4-6,8-9,11-14,19-20,25,28,31-42,44,46-48,50,52-65H2,1-3H3,(H,70,71)(H,74,75)/b10-7-,17-15-,18-16-,23-21-,24-22-,27-26-,30-29-,45-43-,51-49-/t66-/m1/s1 Image of MNXM938814
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:15]=[CH:17]\[CH2:19]/[CH:21]=[CH:23]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:55][CH2:57][CH2:60][C:68](=[O:72])[O:76][CH2:64][C@H:66]([CH2:65][O:78][P:80]([OH:74])(=[O:75])[O:77][CH2:63][CH2:62][N:70]=[C:67]([CH2:59][CH2:56][CH2:54]/[CH:51]=[CH:49]\[CH2:47]/[CH:45]=[CH:43]\[CH2:41]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:71])[O:79][C:69]([CH2:61][CH2:58][CH2:53][CH2:12][CH2:9][CH2:6][CH3:3])=[O: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:000631199
slm:000631199
FZQSEHNZZBAGMS-HPMTYBRTSA-M
1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-octanoyl-sn-glycero-3-phospho-N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine
N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-1-(21Z,24Z,27Z,30Z,33Z-hexatriacontapentaenoyl)-2-octanoyl-sn-glycero-3-phosphoethanolamine
NAPE (36:5(21Z,24Z,27Z,30Z,33Z)/8:0/20:4(5Z,8Z,11Z,14Z))