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1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1023816 Image of MNXM1023816
referenceslm:000716205
formulaC69H121NO8P
global charge-1
mol weight1123.7
InChIKeyUHIGLPAPTWZJAE-MTAYTEPDSA-M
InChIInChI=1S/C69H122NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-55-58-61-69(72)78-67(66-77-79(73,74)76-64-62-70-68(71)60-57-54-12-9-6-3)65-75-63-59-56-53-51-49-47-45-24-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-24,26-27,29-30,59,63,67H,4-6,8-9,11-14,19-20,25,28,31-58,60-62,64-66H2,1-3H3,(H,70,71)(H,73,74)/p-1/b10-7-,17-15-,18-16-,23-21-,24-22-,27-26-,30-29-,63-59-/t67-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H122NO8P/c1-4-7-10-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-46-48-50-52-55-58-61-69(72)78-67(66-77-79(73,74)76-64-62-70-68(71)60-57-54-12-9-6-3)65-75-63-59-56-53-51-49-47-45-24-22-20-18-16-14-11-8-5-2/h7,10,15-18,21-24,26-27,29-30,59,63,67H,4-6,8-9,11-14,19-20,25,28,31-58,60-62,64-66H2,1-3H3,(H,70,71)(H,73,74)/b10-7-,17-15-,18-16-,23-21-,24-22-,27-26-,30-29-,63-59-/t67-/m1/s1 Image of MNXM1023816
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][CH2:41][CH2:42][CH2:43][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:55][CH2:58][CH2:61][C:69](=[O:72])[O:78][C@H:67]([CH2:65][O:75]/[CH:63]=[CH:59]\[CH2:56][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45]/[CH:24]=[CH:22]\[CH2:20]/[CH:18]=[CH:16]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:66][O:77][P:79]([OH:73])(=[O:74])[O:76][CH2:64][CH2:62][N:70]=[C:68]([CH2:60][CH2:57][CH2:54][CH2:12][CH2:9][CH2:6][CH3:3])[OH:71]
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:000716205
slm:000716205
UHIGLPAPTWZJAE-MTAYTEPDSA-M
1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(1Z,9Z,12Z-octadecatrienyl)-2-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-18:2(9Z,12Z)/38:5(23Z,26Z,29Z,32Z,35Z)/8:0)