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1-acetyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM342136 Image of MNXM342136
referenceslm:000025502
formulaC27H45O8P
global charge-2
mol weight528.623
InChIKeyLMBSXMOQKGNIIU-KRSNQEHESA-L
InChIInChI=1S/C27H47O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)35-26(23-33-25(2)28)24-34-36(30,31)32/h7-8,10-11,13-14,26H,3-6,9,12,15-24H2,1-2H3,(H2,30,31,32)/p-2/b8-7-,11-10-,14-13-/t26-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C27H47O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(29)35-26(23-33-25(2)28)24-34-36(30,31)32/h7-8,10-11,13-14,26H,3-6,9,12,15-24H2,1-2H3,(H2,30,31,32)/b8-7-,11-10-,14-13-/t26-/m1/s1 Image of MNXM342136
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:27](=[O:29])[O:35][C@H:26]([CH2:23][O:33][C:25]([CH3:2])=[O:28])[CH2:24][O:34][P:36]([OH:30])([OH:31])=[O:32]
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:000025502
slm:000025502
LMBSXMOQKGNIIU-KRSNQEHESA-L
1-acetyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphate
PA(2:0/22:3(10Z,13Z,16Z))
Phosphatidate (2:0/22:3(10Z,13Z,16Z))