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1-(9Z,12Z-octadecadienoyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM952852 Image of MNXM952852
referenceslm:000645237
formulaC79H135NO9P
global charge-1
mol weight1273.921
InChIKeyKPVLEQRHERVMNJ-HAWORMRVSA-M
InChIInChI=1S/C79H136NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-50-53-56-59-62-65-68-71-79(83)89-76(74-86-78(82)70-67-64-61-58-55-52-49-27-24-21-18-15-12-9-6-3)75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-48-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,33-34,36-37,48-49,76H,4-7,9-10,12-15,22-24,29,32,35,38-47,50-75H2,1-3H3,(H,80,81)(H,84,85)/p-1/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,34-33-,37-36-,48-26-,49-27-/t76-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C79H136NO9P/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-50-53-56-59-62-65-68-71-79(83)89-76(74-86-78(82)70-67-64-61-58-55-52-49-27-24-21-18-15-12-9-6-3)75-88-90(84,85)87-73-72-80-77(81)69-66-63-60-57-54-51-48-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-28,30-31,33-34,36-37,48-49,76H,4-7,9-10,12-15,22-24,29,32,35,38-47,50-75H2,1-3H3,(H,80,81)(H,84,85)/b11-8-,19-16-,20-17-,21-18-,28-25-,31-30-,34-33-,37-36-,48-26-,49-27-/t76-/m1/s1 Image of MNXM952852
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35]/[CH:36]=[CH:37]\[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][CH2:68][CH2:71][C:79](=[O:83])[O:89][C@H:76]([CH2:74][O:86][C:78]([CH2:70][CH2:67][CH2:64][CH2:61][CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:82])[CH2:75][O:88][P:90]([OH:84])(=[O:85])[O:87][CH2:73][CH2:72][N:80]=[C:77]([CH2:69][CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51]/[CH:48]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])[OH:81]
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:000645237
slm:000645237
KPVLEQRHERVMNJ-HAWORMRVSA-M 		1-(9Z,12Z-octadecadienoyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-N-(9Z,12Z,15Z-octadecatrienoyl)-ethanolamine
N-(9Z,12Z,15Z-octadecatrienoyl)-1-(9Z,12Z-octadecadienoyl)-2-(20Z,23Z,26Z,29Z,32Z-octatriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (18:2(9Z,12Z)/38:5(20Z,23Z,26Z,29Z,32Z)/18:3(9Z,12Z,15Z))