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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM216255 Image of MNXM216255
referenceslm:000472025
formulaC72H121O13P2
global charge-3
mol weight1256.695
InChIKeyXIAVTMYIWIXUGA-XDBFEWATSA-K
InChIInChI=1S/C72H124O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-72(75)85-70(68-84-87(79,80)83-66-69(73)65-82-86(76,77)78)67-81-71(74)63-61-59-57-55-53-51-49-47-45-43-41-39-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-30,39,41,69-70,73H,3-4,9-10,15-16,21-22,27-28,31-38,40,42-68H2,1-2H3,(H,79,80)(H2,76,77,78)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,41-39-/t69-,70+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C72H124O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-72(75)85-70(68-84-87(79,80)83-66-69(73)65-82-86(76,77)78)67-81-71(74)63-61-59-57-55-53-51-49-47-45-43-41-39-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-30,39,41,69-70,73H,3-4,9-10,15-16,21-22,27-28,31-38,40,42-68H2,1-2H3,(H,79,80)(H2,76,77,78)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,41-39-/t69-,70+/m0/s1 Image of MNXM216255
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][CH2:62][CH2:64][C:72](=[O:75])[O:85][C@H:70]([CH2:67][O:81][C:71]([CH2:63][CH2:61][CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43]/[CH:41]=[CH:39]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:74])[CH2:68][O:84][P:87]([OH:79])(=[O:80])[O:83][CH2:66][C@H:69]([CH2:65][O:82][P:86]([OH:76])([OH:77])=[O:78])[OH:73]
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:000472025
slm:000472025
XIAVTMYIWIXUGA-XDBFEWATSA-K 		1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(28:5(13Z,16Z,19Z,22Z,25Z)/38:5(23Z,26Z,29Z,32Z,35Z))
Phosphatidylglycerophosphate (28:5(13Z,16Z,19Z,22Z,25Z)/38:5(23Z,26Z,29Z,32Z,35Z))