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1-O-(11-methyldodecyl)-2-tetradecanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1025865 Image of MNXM1025865
referenceslm:000718254
formulaC50H99NO8P
global charge-1
mol weight873.315
InChIKeyHQOUPLQRMVGARB-QSCHNALKSA-M
InChIInChI=1S/C50H100NO8P/c1-5-7-9-11-13-15-17-18-19-20-22-23-28-32-36-40-49(52)51-42-44-57-60(54,55)58-46-48(45-56-43-38-34-30-26-25-27-31-35-39-47(3)4)59-50(53)41-37-33-29-24-21-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3,(H,51,52)(H,54,55)/p-1/t48-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)([O-])OC[C@@H](COCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H100NO8P/c1-5-7-9-11-13-15-17-18-19-20-22-23-28-32-36-40-49(52)51-42-44-57-60(54,55)58-46-48(45-56-43-38-34-30-26-25-27-31-35-39-47(3)4)59-50(53)41-37-33-29-24-21-16-14-12-10-8-6-2/h47-48H,5-46H2,1-4H3,(H,51,52)(H,54,55)/t48-/m1/s1 Image of MNXM1025865
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:23][CH2:28][CH2:32][CH2:36][CH2:40][C:49](=[N:51][CH2:42][CH2:44][O:57][P:60]([OH:54])(=[O:55])[O:58][CH2:46][C@@H:48]([CH2:45][O:56][CH2:43][CH2:38][CH2:34][CH2:30][CH2:26][CH2:25][CH2:27][CH2:31][CH2:35][CH2:39][CH:47]([CH3:3])[CH3:4])[O:59][C:50]([CH2:41][CH2:37][CH2:33][CH2:29][CH2:24][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:53])[OH:52]
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:000718254
slm:000718254
HQOUPLQRMVGARB-QSCHNALKSA-M
1-O-(11-methyldodecyl)-2-tetradecanoyl-sn-glycero-3-phospho-N-octadecanoyl-ethanolamine
N-octadecanoyl-1-O-(11-methyldodecyl)-2-tetradecanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-13:0(11-me)/14:0/18:0)