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1-O-tetradecyl-2-docosanoyl-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine

PropertiesImage
MNX_IDMNXM1027103 Image of MNXM1027103
referenceslm:000719492
formulaC59H115NO8P
global charge-1
mol weight997.542
InChIKeyKSBHSHSHNRFCOY-WZCXKACVSA-M
InChIInChI=1S/C59H116NO8P/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-36-39-42-45-48-51-59(62)68-57(55-65-53-49-46-43-40-37-24-21-18-15-12-9-6-3)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-33-31-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3,(H,60,61)(H,63,64)/p-1/b23-20-/t57-/m1/s1
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C59H116NO8P/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-36-39-42-45-48-51-59(62)68-57(55-65-53-49-46-43-40-37-24-21-18-15-12-9-6-3)56-67-69(63,64)66-54-52-60-58(61)50-47-44-41-38-35-33-31-26-23-20-17-14-11-8-5-2/h20,23,57H,4-19,21-22,24-56H2,1-3H3,(H,60,61)(H,63,64)/b23-20-/t57-/m1/s1 Image of MNXM1027103
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][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:59](=[O:62])[O:68][C@H:57]([CH2:55][O:65][CH2:53][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[CH2:56][O:67][P:69]([OH:63])(=[O:64])[O:66][CH2:54][CH2:52][N:60]=[C:58]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[OH:61]
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:000719492
slm:000719492
KSBHSHSHNRFCOY-WZCXKACVSA-M
1-O-tetradecyl-2-docosanoyl-sn-glycero-3-phospho-N-(11Z-octadecenoyl)-ethanolamine
N-(11Z-octadecenoyl)-1-O-tetradecyl-2-docosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-14:0/22:0/18:1(11Z))