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PC(DiMe(11,3)/DiMe(11,5))

PropertiesImage
MNX_IDMNXM159234 Image of MNXM159234
referencehmdb:HMDB0061391
formulaC50H89NO10P
global charge1
mol weight895.233
InChIKeyMUWHBDDKJLZBRU-UHFFFAOYSA-O
InChIInChI=1S/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-27-22-18-14-16-20-24-29-35-50(53)59-44(39-58-62(54,55)57-37-36-51(7,8)9)38-56-49(52)34-28-23-19-15-13-17-21-26-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/p+1
SMILESCCCCCC1=C(C)C(C)=C(CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(O)OCC[N+](C)(C)C)O1
MNX internals
InChI (mnx)InChI=1/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-27-22-18-14-16-20-24-29-35-50(53)59-44(39-58-62(54,55)57-37-36-51(7,8)9)38-56-49(52)34-28-23-19-15-13-17-21-26-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/t44? Image of MNXM159234
SMILES (mnx)[CH3:1][CH2:10][CH2:12][CH2:25][CH2:31][C:46]1=[C:42]([CH3:5])[C:43]([CH3:6])=[C:48]([CH2:33][CH2:27][CH2:22][CH2:18][CH2:14][CH2:16][CH2:20][CH2:24][CH2:29][CH2:35][C:50](=[O:53])[O:59][CH:44]([CH2:38][O:56][C:49]([CH2:34][CH2:28][CH2:23][CH2:19][CH2:15][CH2:13][CH2:17][CH2:21][CH2:26][CH2:32][C:47]2=[C:41]([CH3:4])[C:40]([CH3:3])=[C:45]([CH2:30][CH2:11][CH3:2])[O:60]2)=[O:52])[CH2:39][O:58][P:62](=[O:54])([O-:55])[O:57][CH2:37][CH2:36][N+:51]([CH3:7])([CH3:8])[CH3:9])[O:61]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:HMDB0061391
MUWHBDDKJLZBRU-UHFFFAOYSA-O
PC(DiMe(11,3)/DiMe(11,5))
(2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy)[2-(trimethylazaniumyl)ethoxy]phosphinic acid
2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}-3-{[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyl]oxy}propoxy(2-(trimethylammonio)ethoxy)phosphinic acid
PC(11D3/11D5)
Phosphatidylcholine(11D3/11D5)
Phosphatidylcholine(DiMe(11,3)/DiMe(11,5))

hmdb:HMDB61391
secondary/obsolete/fantasy identifier