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1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1047351 Image of MNXM1047351
referenceslm:000739740
formulaC39H65NO8P
global charge-1
mol weight706.922
InChIKeyHFUQMPAIMODDPC-QCZQZEMVSA-M
InChIInChI=1S/C39H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-39(43)46-35-37(41)36-48-49(44,45)47-34-33-40-38(42)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,26,28,37,41H,3-4,6,8-10,12,14,17,20,23-25,27,29-36H2,1-2H3,(H,40,42)(H,44,45)/p-1/b7-5-,13-11-,16-15-,19-18-,22-21-,28-26-/t37-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O)COP(=O)([O-])OCCNC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-39(43)46-35-37(41)36-48-49(44,45)47-34-33-40-38(42)31-29-27-25-23-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,21-22,26,28,37,41H,3-4,6,8-10,12,14,17,20,23-25,27,29-36H2,1-2H3,(H,40,42)(H,44,45)/b7-5-,13-11-,16-15-,19-18-,22-21-,28-26-/t37-/m1/s1 Image of MNXM1047351
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30][CH2:32][C:39](=[O:43])[O:46][CH2:35][C@H:37]([CH2:36][O:48][P:49]([OH:44])(=[O:45])[O:47][CH2:34][CH2:33][N:40]=[C:38]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:42])[OH:41]
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:000739740
slm:000739740
HFUQMPAIMODDPC-QCZQZEMVSA-M
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-N-dodecanoyl-ethanolamine
N-dodecanoyl-1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/12:0)