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PE(DiMe(13,5)/DiMe(11,5))

PropertiesImage
MNX_IDMNXM159333 Image of MNXM159333
referencehmdb:HMDB0061490
formulaC51H90NO10P
global charge0
mol weight908.252
InChIKeyIJPBBGGHYYXFCB-WBVITSLISA-N
InChIInChI=1S/C51H90NO10P/c1-7-9-25-31-46-41(3)43(5)48(61-46)33-27-21-17-13-11-12-14-19-23-29-35-50(53)57-39-45(40-59-63(55,56)58-38-37-52)60-51(54)36-30-24-20-16-15-18-22-28-34-49-44(6)42(4)47(62-49)32-26-10-8-2/h45H,7-40,52H2,1-6H3,(H,55,56)/t45-/m1/s1
SMILESCCCCCC1=C(C)C(C)=C(CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC2=C(C)C(C)=C(CCCCC)O2)O1
MNX internals
InChI (mnx)InChI=1/C51H90NO10P/c1-7-9-25-31-46-41(3)43(5)48(61-46)33-27-21-17-13-11-12-14-19-23-29-35-50(53)57-39-45(40-59-63(55,56)58-38-37-52)60-51(54)36-30-24-20-16-15-18-22-28-34-49-44(6)42(4)47(62-49)32-26-10-8-2/h45H,7-40,52H2,1-6H3,(H,55,56)/t45-/m1/s1 Image of MNXM159333
SMILES (mnx)[CH3:1][CH2:7][CH2:9][CH2:25][CH2:31][C:46]1=[C:41]([CH3:3])[C:43]([CH3:5])=[C:48]([CH2:33][CH2:27][CH2:21][CH2:17][CH2:13][CH2:11][CH2:12][CH2:14][CH2:19][CH2:23][CH2:29][CH2:35][C:50](=[O:53])[O:57][CH2:39][C@H:45]([CH2:40][O:59][P:63]([OH:55])(=[O:56])[O:58][CH2:38][CH2:37][NH2:52])[O:60][C:51]([CH2:36][CH2:30][CH2:24][CH2:20][CH2:16][CH2:15][CH2:18][CH2:22][CH2:28][CH2:34][C:49]2=[C:44]([CH3:6])[C:42]([CH3:4])=[C:47]([CH2:32][CH2:26][CH2:10][CH2:8][CH3:2])[O:62]2)=[O:54])[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:HMDB0061490
IJPBBGGHYYXFCB-WBVITSLISA-N
PE(DiMe(13,5)/DiMe(11,5))
(2-aminoethoxy)[(2R)-3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid
2-aminoethoxy((2R)-3-{[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyl]oxy}-2-{[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)phosphinic acid
PE(13D5/11D5)
Phosphatidylethanolamine(13D5/11D5)
Phosphatidylethanolamine(DiMe(13,5)/DiMe(11,5))

hmdb:HMDB61490
secondary/obsolete/fantasy identifier