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1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetracosanoyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM955384 Image of MNXM955384
referenceslm:000647769
formulaC63H117NO9P
global charge-1
mol weight1063.601
InChIKeyWSJMHEASVVMDGB-AOTYZRTNSA-M
InChIInChI=1S/C63H118NO9P/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-63(67)73-60(58-70-62(66)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3/h17,20,26,33,39,42,60H,4-16,18-19,21-25,27-32,34-38,40-41,43-59H2,1-3H3,(H,64,65)(H,68,69)/p-1/b20-17-,33-26-,42-39-/t60-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H118NO9P/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-40-43-46-49-52-55-63(67)73-60(58-70-62(66)54-51-48-45-42-39-36-33-26-23-20-17-14-11-8-5-2)59-72-74(68,69)71-57-56-64-61(65)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3/h17,20,26,33,39,42,60H,4-16,18-19,21-25,27-32,34-38,40-41,43-59H2,1-3H3,(H,64,65)(H,68,69)/b20-17-,33-26-,42-39-/t60-/m1/s1 Image of MNXM955384
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:63](=[O:67])[O:73][C@H:60]([CH2:58][O:70][C:62]([CH2:54][CH2:51][CH2:48][CH2:45]/[CH:42]=[CH:39]\[CH2:36]/[CH:33]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66])[CH2:59][O:72][P:74]([OH:68])(=[O:69])[O:71][CH2:57][CH2:56][N:64]=[C:61]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:65]
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:000647769
slm:000647769
WSJMHEASVVMDGB-AOTYZRTNSA-M
1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetracosanoyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetracosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (18:3(6Z,9Z,12Z)/24:0/16:0)