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1-(10Z,13Z,16Z-docosatrienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM184189 Image of MNXM184189
referenceslm:000036786
formulaC46H78O10P
global charge-1
mol weight822.094
InChIKeyUHUFUTBTZLKEEK-WREPRWCBSA-M
InChIInChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,43-44,47-48H,3-5,7,9-10,15-16,20,24-42H2,1-2H3,(H,51,52)/p-1/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t43-,44+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OC[C@@H](O)CO
MNX internals
InChI (mnx)InChI=1/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,43-44,47-48H,3-5,7,9-10,15-16,20,24-42H2,1-2H3,(H,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-/t43-,44+/m0/s1 Image of MNXM184189
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:45](=[O:49])[O:53][CH2:41][C@H:44]([CH2:42][O:55][P:57]([OH:51])(=[O:52])[O:54][CH2:40][C@H:43]([CH2:39][OH:47])[OH:48])[O:56][C:46]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O: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:000036786
slm:000036786
UHUFUTBTZLKEEK-WREPRWCBSA-M
1-(10Z,13Z,16Z-docosatrienoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z))
Phosphatidylglycerol (22:3(10Z,13Z,16Z)/18:3(9Z,12Z,15Z))