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1-O-(13-methyltetradecyl)-2-heneicosanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine

PropertiesImage
MNX_IDMNXM1029206 Image of MNXM1029206
referenceslm:000721595
formulaC49H97NO8P
global charge-1
mol weight859.288
InChIKeyIZUWYJNKDWXRJJ-QZNUWAOFSA-M
InChIInChI=1S/C49H98NO8P/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-28-32-36-40-49(52)58-47(44-55-42-37-33-29-26-23-22-24-27-31-34-38-46(3)4)45-57-59(53,54)56-43-41-50-48(51)39-35-30-10-8-6-2/h46-47H,5-45H2,1-4H3,(H,50,51)(H,53,54)/p-1/t47-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCC(C)C)COP(=O)([O-])OCCNC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C49H98NO8P/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-28-32-36-40-49(52)58-47(44-55-42-37-33-29-26-23-22-24-27-31-34-38-46(3)4)45-57-59(53,54)56-43-41-50-48(51)39-35-30-10-8-6-2/h46-47H,5-45H2,1-4H3,(H,50,51)(H,53,54)/t47-/m1/s1 Image of MNXM1029206
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:25][CH2:28][CH2:32][CH2:36][CH2:40][C:49](=[O:52])[O:58][C@H:47]([CH2:44][O:55][CH2:42][CH2:37][CH2:33][CH2:29][CH2:26][CH2:23][CH2:22][CH2:24][CH2:27][CH2:31][CH2:34][CH2:38][CH:46]([CH3:3])[CH3:4])[CH2:45][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:43][CH2:41][N:50]=[C:48]([CH2:39][CH2:35][CH2:30][CH2:10][CH2:8][CH2:6][CH3:2])[OH:51]
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:000721595
slm:000721595
IZUWYJNKDWXRJJ-QZNUWAOFSA-M
1-O-(13-methyltetradecyl)-2-heneicosanoyl-sn-glycero-3-phospho-N-octanoyl-ethanolamine
N-octanoyl-1-O-(13-methyltetradecyl)-2-heneicosanoyl-sn-glycero-3-phosphoethanolamine
NAPE (O-15:0(13-me)/21:0/8:0)