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1-O-(13Z-docosenyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1044573 Image of MNXM1044573
referenceslm:000736962
formulaC83H147NO8P
global charge-1
mol weight1318.062
InChIKeyPAMAOSWPLMYCDV-PQBFYXKRSA-M
InChIInChI=1S/C83H148NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-51-54-57-60-63-66-69-72-75-83(86)92-81(79-89-77-73-70-67-64-61-58-55-52-50-33-31-29-26-23-20-17-14-11-8-5-2)80-91-93(87,88)90-78-76-84-82(85)74-71-68-65-62-59-56-53-27-24-21-18-15-12-9-6-3/h16,18-19,21,25-29,32,34,36-37,39-40,53,59,62,81H,4-15,17,20,22-24,30-31,33,35,38,41-52,54-58,60-61,63-80H2,1-3H3,(H,84,85)(H,87,88)/p-1/b19-16-,21-18-,28-25-,29-26-,34-32-,37-36-,40-39-,53-27-,62-59-/t81-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCCNC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C83H148NO8P/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-36-37-38-39-40-41-42-43-44-45-46-47-48-49-51-54-57-60-63-66-69-72-75-83(86)92-81(79-89-77-73-70-67-64-61-58-55-52-50-33-31-29-26-23-20-17-14-11-8-5-2)80-91-93(87,88)90-78-76-84-82(85)74-71-68-65-62-59-56-53-27-24-21-18-15-12-9-6-3/h16,18-19,21,25-29,32,34,36-37,39-40,53,59,62,81H,4-15,17,20,22-24,30-31,33,35,38,41-52,54-58,60-61,63-80H2,1-3H3,(H,84,85)(H,87,88)/b19-16-,21-18-,28-25-,29-26-,34-32-,37-36-,40-39-,53-27-,62-59-/t81-/m1/s1 Image of MNXM1044573
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38]/[CH:39]=[CH:40]\[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:51][CH2:54][CH2:57][CH2:60][CH2:63][CH2:66][CH2:69][CH2:72][CH2:75][C:83](=[O:86])[O:92][C@H:81]([CH2:79][O:89][CH2:77][CH2:73][CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:50][CH2:33][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:80][O:91][P:93]([OH:87])(=[O:88])[O:90][CH2:78][CH2:76][N:84]=[C:82]([CH2:74][CH2:71][CH2:68][CH2:65]/[CH:62]=[CH:59]\[CH2:56]/[CH:53]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:85]
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:000736962
slm:000736962
PAMAOSWPLMYCDV-PQBFYXKRSA-M
1-O-(13Z-docosenyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-O-(13Z-docosenyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-22:1(13Z)/38:5(20Z,23Z,26Z,29Z,32Z)/18:3(6Z,9Z,12Z))