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1-butanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM343407 Image of MNXM343407
referenceslm:000025580
formulaC25H45O8P
global charge-2
mol weight504.601
InChIKeyPSIAFBUNIPGDPI-JJNABOQBSA-L
InChIInChI=1S/C25H47O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-4-2/h9-10,23H,3-8,11-22H2,1-2H3,(H2,28,29,30)/p-2/b10-9+/t23-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C25H47O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(27)33-23(22-32-34(28,29)30)21-31-24(26)19-4-2/h9-10,23H,3-8,11-22H2,1-2H3,(H2,28,29,30)/b10-9+/t23-/m1/s1 Image of MNXM343407
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]/[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][C:25](=[O:27])[O:33][C@H:23]([CH2:21][O:31][C:24]([CH2:19][CH2:4][CH3:2])=[O:26])[CH2:22][O:32][P:34]([OH:28])([OH:29])=[O:30]
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:000025580
slm:000025580
PSIAFBUNIPGDPI-JJNABOQBSA-L
1-butanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphate
PA(4:0/18:1(11E))
Phosphatidate (4:0/18:1(11E))