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PC(MonoMe(11,5)/DiMe(11,5))

PropertiesImage
MNX_IDMNXM159288 Image of MNXM159288
referencehmdb:HMDB0061445
formulaC51H91NO10P
global charge1
mol weight909.26
InChIKeyTWEHCXPNVJDJOE-UHFFFAOYSA-O
InChIInChI=1S/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-17-13-15-19-23-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-24-20-16-14-18-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/p+1
SMILESCCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1
MNX internals
InChI (mnx)InChI=1/C51H90NO10P/c1-9-11-25-31-45-39-42(3)47(60-45)32-27-21-17-13-15-19-23-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52(6,7)8)61-51(54)36-30-24-20-16-14-18-22-28-34-49-44(5)43(4)48(62-49)33-26-12-10-2/h39,46H,9-38,40-41H2,1-8H3/t46? Image of MNXM159288
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:25][CH2:31][C:45]1=[CH:39][C:42]([CH3:3])=[C:47]([CH2:32][CH2:27][CH2:21][CH2:17][CH2:13][CH2:15][CH2:19][CH2:23][CH2:29][CH2:35][C:50](=[O:53])[O:57][CH2:40][CH:46]([CH2:41][O:59][P:63](=[O:55])([O-:56])[O:58][CH2:38][CH2:37][N+:52]([CH3:6])([CH3:7])[CH3:8])[O:61][C:51]([CH2:36][CH2:30][CH2:24][CH2:20][CH2:16][CH2:14][CH2:18][CH2:22][CH2:28][CH2:34][C:49]2=[C:44]([CH3:5])[C:43]([CH3:4])=[C:48]([CH2:33][CH2:26][CH2:12][CH2:10][CH3:2])[O:62]2)=[O:54])[O:60]1
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
hmdb:HMDB0061445
TWEHCXPNVJDJOE-UHFFFAOYSA-O
PC(MonoMe(11,5)/DiMe(11,5))
(2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid
2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid
PC(11M5/11D5)
Phosphatidylcholine(11M5/11D5)
Phosphatidylcholine(MonoMe(11,5)/DiMe(11,5))

hmdb:HMDB61445
secondary/obsolete/fantasy identifier