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

PropertiesImage
MNX_IDMNXM955314 Image of MNXM955314
referenceslm:000647699
formulaC53H97NO9P
global charge-1
mol weight923.331
InChIKeyDGTGGVHMVWKHMT-KBFPBMELSA-M
InChIInChI=1S/C53H98NO9P/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-52(56)60-48-50(63-53(57)45-42-39-36-33-28-21-18-15-12-9-6-3)49-62-64(58,59)61-47-46-54-51(55)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,30,32,50H,4-15,17-18,20-23,26-29,31,33-49H2,1-3H3,(H,54,55)(H,58,59)/p-1/b19-16-,25-24-,32-30-/t50-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C53H98NO9P/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-52(56)60-48-50(63-53(57)45-42-39-36-33-28-21-18-15-12-9-6-3)49-62-64(58,59)61-47-46-54-51(55)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h16,19,24-25,30,32,50H,4-15,17-18,20-23,26-29,31,33-49H2,1-3H3,(H,54,55)(H,58,59)/b19-16-,25-24-,32-30-/t50-/m1/s1 Image of MNXM955314
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:25]\[CH2:27]/[CH:30]=[CH:32]\[CH2:35][CH2:38][CH2:41][CH2:44][C:52](=[O:56])[O:60][CH2:48][C@H:50]([CH2:49][O:62][P:64]([OH:58])(=[O:59])[O:61][CH2:47][CH2:46][N:54]=[C:51]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[O:63][C:53]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:28][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57]
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:000647699
slm:000647699
DGTGGVHMVWKHMT-KBFPBMELSA-M
1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3-phospho-N-hexadecanoyl-ethanolamine
N-hexadecanoyl-1-(6Z,9Z,12Z-octadecatrienoyl)-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (18:3(6Z,9Z,12Z)/14:0/16:0)