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

PropertiesImage
MNX_IDMNXM344486 Image of MNXM344486
referenceslm:000019116
formulaC43H82O13P
global charge-1
mol weight838.09
InChIKeyCMWDGRIXJBUERG-BHIZUYRXSA-M
InChIInChI=1S/C43H83O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-37(45)55-35(33-53-36(44)31-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/p-1/t35-,38-,39-,40+,41-,42-,43-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)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/C43H83O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-37(45)55-35(33-53-36(44)31-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h35,38-43,46-50H,3-34H2,1-2H3,(H,51,52)/t35-,38-,39-,40+,41-,42-,43-/m1/s1 Image of MNXM344486
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][C:37](=[O:45])[O:55][C@H:35]([CH2:33][O:53][C:36]([CH2:31][CH2:4][CH3:2])=[O:44])[CH2:34][O:54][P:57]([OH:51])(=[O:52])[O:56][C@@H:43]1[C@H:41]([OH:49])[C@H:39]([OH:47])[C@@H:38]([OH:46])[C@H:40]([OH:48])[C@H:42]1[OH:50]
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:000019116
slm:000019116
CMWDGRIXJBUERG-BHIZUYRXSA-M
1-butanoyl-2-triacontanoyl-sn-glycero-3-phospho-1D-myo-inositol
PI(4:0/30:0)
Phosphatidylinositol (4:0/30:0)