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1-O-(1Z,13Z-octadecadienyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1025555 Image of MNXM1025555
referenceslm:000717944
formulaC53H99NO8P
global charge-1
mol weight909.348
InChIKeyRGMDBPDEWVHHSC-HLBIRLQQSA-M
InChIInChI=1S/C53H100NO8P/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-47-59-49-51(62-53(56)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)50-61-63(57,58)60-48-46-54-52(55)44-41-38-35-32-29-21-18-15-12-9-6-3/h13,16,30,33,43,47,51H,4-12,14-15,17-29,31-32,34-42,44-46,48-50H2,1-3H3,(H,54,55)(H,57,58)/p-1/b16-13-,33-30-,47-43-/t51-/m1/s1
SMILESCCCC/C=C\CCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCCNC(=O)CCCCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C53H100NO8P/c1-4-7-10-13-16-19-22-24-25-26-28-31-34-37-40-43-47-59-49-51(62-53(56)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)50-61-63(57,58)60-48-46-54-52(55)44-41-38-35-32-29-21-18-15-12-9-6-3/h13,16,30,33,43,47,51H,4-12,14-15,17-29,31-32,34-42,44-46,48-50H2,1-3H3,(H,54,55)(H,57,58)/b16-13-,33-30-,47-43-/t51-/m1/s1 Image of MNXM1025555
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10]/[CH:13]=[CH:16]\[CH2:19][CH2:22][CH2:24][CH2:25][CH2:26][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40]/[CH:43]=[CH:47]\[O:59][CH2:49][C@H:51]([CH2:50][O:61][P:63]([OH:57])(=[O:58])[O:60][CH2:48][CH2:46][N:54]=[C:52]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[OH:55])[O:62][C:53]([CH2:45][CH2:42][CH2:39][CH2:36]/[CH:33]=[CH:30]\[CH2:27][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:56]
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:000717944
slm:000717944
RGMDBPDEWVHHSC-HLBIRLQQSA-M
1-O-(1Z,13Z-octadecadienyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-tetradecanoyl-ethanolamine
N-tetradecanoyl-1-O-(1Z,13Z-octadecadienyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (P-18:1(13Z)/16:1(6Z)/14:0)