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1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM946801 Image of MNXM946801
referenceslm:000639186
formulaC62H109NO9P
global charge-1
mol weight1043.526
InChIKeyFYEWZXANFZJAEQ-SPBNNVAWSA-M
InChIInChI=1S/C62H110NO9P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-40-44-48-52-61(65)69-56-59(72-62(66)53-49-45-41-37-38-42-46-50-58(3)4)57-71-73(67,68)70-55-54-63-60(64)51-47-43-39-35-33-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24-25,27-28,58-59H,5-6,8,10-12,14,16-17,20,23,26,29-57H2,1-4H3,(H,63,64)(H,67,68)/p-1/b9-7-,15-13-,19-18-,22-21-,25-24-,28-27-/t59-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C62H110NO9P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-40-44-48-52-61(65)69-56-59(72-62(66)53-49-45-41-37-38-42-46-50-58(3)4)57-71-73(67,68)70-55-54-63-60(64)51-47-43-39-35-33-16-14-12-10-8-6-2/h7,9,13,15,18-19,21-22,24-25,27-28,58-59H,5-6,8,10-12,14,16-17,20,23,26,29-57H2,1-4H3,(H,63,64)(H,67,68)/b9-7-,15-13-,19-18-,22-21-,25-24-,28-27-/t59-/m1/s1 Image of MNXM946801
SMILES (mnx)[CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][C:61](=[O:65])[O:69][CH2:56][C@H:59]([CH2:57][O:71][P:73]([OH:67])(=[O:68])[O:70][CH2:55][CH2:54][N:63]=[C:60]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:33][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:64])[O:72][C:62]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH:58]([CH3:3])[CH3:4])=[O:66]
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:000639186
slm:000639186
FYEWZXANFZJAEQ-SPBNNVAWSA-M
1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-2-(11-methyldodecanoyl)-sn-glycero-3-phosphoethanolamine
NAPE (30:6(12Z,15Z,18Z,21Z,24Z,27Z)/13:0-11me/14:0)