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1-O-(15-methylhexadecyl)-2-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1031282 Image of MNXM1031282
referenceslm:000723671
formulaC66H121NO8P
global charge-1
mol weight1087.667
InChIKeyQYDMPMXUFQAWEA-XYHBUKPUSA-M
InChIInChI=1S/C66H122NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-37-41-45-49-53-57-66(69)75-64(61-72-59-54-50-46-42-38-34-33-35-39-43-47-51-55-63(3)4)62-74-76(70,71)73-60-58-67-65(68)56-52-48-44-40-36-31-18-16-14-12-10-8-6-2/h13,15,19-20,22-23,25-26,28-29,63-64H,5-12,14,16-18,21,24,27,30-62H2,1-4H3,(H,67,68)(H,70,71)/p-1/b15-13-,20-19-,23-22-,26-25-,29-28-/t64-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C66H122NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-32-37-41-45-49-53-57-66(69)75-64(61-72-59-54-50-46-42-38-34-33-35-39-43-47-51-55-63(3)4)62-74-76(70,71)73-60-58-67-65(68)56-52-48-44-40-36-31-18-16-14-12-10-8-6-2/h13,15,19-20,22-23,25-26,28-29,63-64H,5-12,14,16-18,21,24,27,30-62H2,1-4H3,(H,67,68)(H,70,71)/b15-13-,20-19-,23-22-,26-25-,29-28-/t64-/m1/s1 Image of MNXM1031282
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:32][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH2:57][C:66](=[O:69])[O:75][C@H:64]([CH2:61][O:72][CH2:59][CH2:54][CH2:50][CH2:46][CH2:42][CH2:38][CH2:34][CH2:33][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][CH2:55][CH:63]([CH3:3])[CH3:4])[CH2:62][O:74][P:76]([OH:70])(=[O:71])[O:73][CH2:60][CH2:58][N:67]=[C:65]([CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:36][CH2:31][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:68]
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:000723671
slm:000723671
QYDMPMXUFQAWEA-XYHBUKPUSA-M
1-O-(15-methylhexadecyl)-2-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-O-(15-methylhexadecyl)-2-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-17:0(15-me)/28:5(10Z,13Z,16Z,19Z,22Z)/16:0)