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1-(10Z,13Z,16Z-docosatrienoyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM183582 Image of MNXM183582
referenceslm:000020976
formulaC41H71O8P
global charge-2
mol weight722.985
InChIKeyDWXUDASAFISIMV-FALVROTRSA-L
InChIInChI=1S/C41H73O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,26,28,39H,3-10,12,14-16,19,22-25,27,29-38H2,1-2H3,(H2,44,45,46)/p-2/b13-11-,18-17-,21-20-,28-26-/t39-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCC/C=C\CCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H73O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,26,28,39H,3-10,12,14-16,19,22-25,27,29-38H2,1-2H3,(H2,44,45,46)/b13-11-,18-17-,21-20-,28-26-/t39-/m1/s1 Image of MNXM183582
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:42])[O:47][CH2:37][C@H:39]([CH2:38][O:48][P:50]([OH:44])([OH:45])=[O:46])[O:49][C:41]([CH2:36][CH2:34][CH2:32][CH2:30]/[CH:28]=[CH:26]\[CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43]
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:000020976
slm:000020976
DWXUDASAFISIMV-FALVROTRSA-L
1-(10Z,13Z,16Z-docosatrienoyl)-2-(6Z-hexadecenoyl)-sn-glycero-3-phosphate
PA(22:3(10Z,13Z,16Z)/16:1(6Z))
Phosphatidate (22:3(10Z,13Z,16Z)/16:1(6Z))