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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM218080 Image of MNXM218080
referenceslm:000037839
formulaC47H84O10P
global charge-1
mol weight840.153
InChIKeyMGQDLAZMVGBMKY-CNNLVTAQSA-M
InChIInChI=1S/C47H85O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-46(50)54-42-45(43-56-58(52,53)55-41-44(49)40-48)57-47(51)39-37-35-33-30-14-12-10-8-6-4-2/h11,13,16-17,19-20,22-23,44-45,48-49H,3-10,12,14-15,18,21,24-43H2,1-2H3,(H,52,53)/p-1/b13-11-,17-16-,20-19-,23-22-/t44-,45+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C47H85O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-32-34-36-38-46(50)54-42-45(43-56-58(52,53)55-41-44(49)40-48)57-47(51)39-37-35-33-30-14-12-10-8-6-4-2/h11,13,16-17,19-20,22-23,44-45,48-49H,3-10,12,14-15,18,21,24-43H2,1-2H3,(H,52,53)/b13-11-,17-16-,20-19-,23-22-/t44-,45+/m0/s1 Image of MNXM218080
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][C:46](=[O:50])[O:54][CH2:42][C@H:45]([CH2:43][O:56][P:58]([OH:52])(=[O:53])[O:55][CH2:41][C@H:44]([CH2:40][OH:48])[OH:49])[O:57][C:47]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:30][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:51]
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:000037839
slm:000037839
MGQDLAZMVGBMKY-CNNLVTAQSA-M
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-tridecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(28:4(13Z,16Z,19Z,22Z)/13:0)
Phosphatidylglycerol (28:4(13Z,16Z,19Z,22Z)/13:0)