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1-(13Z,16Z-docosadienoyl)-2-(17Z,20Z,23Z,26Z,29Z-dotriacontapentaenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM954403 Image of MNXM954403
referenceslm:000646788
formulaC73H129NO9P
global charge-1
mol weight1195.807
InChIKeyORTKVECYNGUNIH-JOPYFGFJSA-M
InChIInChI=1S/C73H130NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-34-35-36-37-38-39-41-43-45-47-50-53-56-59-62-65-73(77)83-70(69-82-84(78,79)81-67-66-74-71(75)63-60-57-54-51-48-21-18-15-12-9-6-3)68-80-72(76)64-61-58-55-52-49-46-44-42-40-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-31,33-34,70H,4-6,8-9,11-15,18,21-23,28-29,32,35-69H2,1-3H3,(H,74,75)(H,78,79)/p-1/b10-7-,19-16-,20-17-,26-24-,27-25-,31-30-,34-33-/t70-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C73H130NO9P/c1-4-7-10-13-16-19-22-24-26-28-30-31-32-33-34-35-36-37-38-39-41-43-45-47-50-53-56-59-62-65-73(77)83-70(69-82-84(78,79)81-67-66-74-71(75)63-60-57-54-51-48-21-18-15-12-9-6-3)68-80-72(76)64-61-58-55-52-49-46-44-42-40-29-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,30-31,33-34,70H,4-6,8-9,11-15,18,21-23,28-29,32,35-69H2,1-3H3,(H,74,75)(H,78,79)/b10-7-,19-16-,20-17-,26-24-,27-25-,31-30-,34-33-/t70-/m1/s1 Image of MNXM954403
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:73](=[O:77])[O:83][C@H:70]([CH2:68][O:80][C:72]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:44][CH2:42][CH2:40][CH2:29]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:76])[CH2:69][O:82][P:84]([OH:78])(=[O:79])[O:81][CH2:67][CH2:66][N:74]=[C:71]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:75]
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:000646788
slm:000646788
ORTKVECYNGUNIH-JOPYFGFJSA-M
1-(13Z,16Z-docosadienoyl)-2-(17Z,20Z,23Z,26Z,29Z-dotriacontapentaenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(13Z,16Z-docosadienoyl)-2-(17Z,20Z,23Z,26Z,29Z-dotriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (22:2(13Z,16Z)/32:5(17Z,20Z,23Z,26Z,29Z)/14:0)