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1-(10Z,13Z,16Z-docosatrienoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)

PropertiesImage
MNX_IDMNXM182256 Image of MNXM182256
referenceslm:000036742
formulaC48H86O10P
global charge-1
mol weight854.18
InChIKeyJOALHZJNTCXHJI-FSCHKKDESA-M
InChIInChI=1S/C48H87O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,45-46,49-50H,3-10,12,14-16,21,23,25-44H2,1-2H3,(H,53,54)/p-1/b13-11-,19-17-,20-18-,24-22-/t45-,46+/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H87O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22,24,45-46,49-50H,3-10,12,14-16,21,23,25-44H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-,24-22-/t45-,46+/m0/s1 Image of MNXM182256
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:24]\[CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:47](=[O:51])[O:55][CH2:43][C@H:46]([CH2:44][O:57][P:59]([OH:53])(=[O:54])[O:56][CH2:42][C@H:45]([CH2:41][OH:49])[OH:50])[O:58][C:48]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:23]/[CH:20]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:52]
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:000036742
slm:000036742
JOALHZJNTCXHJI-FSCHKKDESA-M
1-(10Z,13Z,16Z-docosatrienoyl)-2-(11Z-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
PG(22:3(10Z,13Z,16Z)/20:1(11Z))
Phosphatidylglycerol (22:3(10Z,13Z,16Z)/20:1(11Z))