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1-O-tetradecyl-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1027913 Image of MNXM1027913
referenceslm:000720302
formulaC53H97NO8P
global charge-1
mol weight907.332
InChIKeySXLDLEOINATVDA-XKWBXAMCSA-M
InChIInChI=1S/C53H98NO8P/c1-4-7-10-13-16-19-22-25-26-28-29-32-35-38-41-44-52(55)54-46-48-60-63(57,58)61-50-51(49-59-47-43-40-37-34-31-24-21-18-15-12-9-6-3)62-53(56)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,29-30,32-33,51H,4-15,17-18,20-24,27-28,31,34-50H2,1-3H3,(H,54,55)(H,57,58)/p-1/b19-16-,26-25-,32-29-,33-30-/t51-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C53H98NO8P/c1-4-7-10-13-16-19-22-25-26-28-29-32-35-38-41-44-52(55)54-46-48-60-63(57,58)61-50-51(49-59-47-43-40-37-34-31-24-21-18-15-12-9-6-3)62-53(56)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19,25-26,29-30,32-33,51H,4-15,17-18,20-24,27-28,31,34-50H2,1-3H3,(H,54,55)(H,57,58)/b19-16-,26-25-,32-29-,33-30-/t51-/m1/s1 Image of MNXM1027913
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:26]\[CH2:28]/[CH:29]=[CH:32]\[CH2:35][CH2:38][CH2:41][CH2:44][C:52](=[N:54][CH2:46][CH2:48][O:60][P:63]([OH:57])(=[O:58])[O:61][CH2:50][C@@H:51]([CH2:49][O:59][CH2:47][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[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])[OH:55]
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:000720302
slm:000720302
SXLDLEOINATVDA-XKWBXAMCSA-M
1-O-tetradecyl-2-(6Z-hexadecenoyl)-sn-glycero-3-phospho-N-(6Z,9Z,12Z-octadecatrienoyl)-ethanolamine
N-(6Z,9Z,12Z-octadecatrienoyl)-1-O-tetradecyl-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphoethanolamine
NAPE (O-14:0/16:1(6Z)/18:3(6Z,9Z,12Z))