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1-eicosanoyl-2-triacontanoyl-sn-glycero-3-phospho-1D-myo-inositol

PropertiesImage
MNX_IDMNXM356043 Image of MNXM356043
referenceslm:000019432
formulaC59H114O13P
global charge-1
mol weight1062.522
InChIKeyJORXPWKJDUMUAC-LSEGEPDZSA-M
InChIInChI=1S/C59H115O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(61)71-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)49-69-52(60)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h51,54-59,62-66H,3-50H2,1-2H3,(H,67,68)/p-1/t51-,54-,55-,56+,57-,58-,59-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C59H115O13P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-53(61)71-51(50-70-73(67,68)72-59-57(65)55(63)54(62)56(64)58(59)66)49-69-52(60)47-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h51,54-59,62-66H,3-50H2,1-2H3,(H,67,68)/t51-,54-,55-,56+,57-,58-,59-/m1/s1 Image of MNXM356043
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:53](=[O:61])[O:71][C@H:51]([CH2:49][O:69][C:52]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:60])[CH2:50][O:70][P:73]([OH:67])(=[O:68])[O:72][C@@H:59]1[C@H:57]([OH:65])[C@H:55]([OH:63])[C@@H:54]([OH:62])[C@H:56]([OH:64])[C@H:58]1[OH:66]
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:000019432
slm:000019432
JORXPWKJDUMUAC-LSEGEPDZSA-M
1-eicosanoyl-2-triacontanoyl-sn-glycero-3-phospho-1D-myo-inositol
PI(20:0/30:0)
Phosphatidylinositol (20:0/30:0)