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1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-(19Z,22Z,25Z,28Z-tetratriacontatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)

PropertiesImage
MNX_IDMNXM179989 Image of MNXM179989
referenceslm:000470916
formulaC68H113O13P2
global charge-3
mol weight1200.587
InChIKeyDTCFKOUIUFOVGB-TXLQHCRGSA-K
InChIInChI=1S/C68H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-68(71)81-66(64-80-83(75,76)79-62-65(69)61-78-82(72,73)74)63-77-67(70)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-30,35,37,41,43,65-66,69H,3-5,7,9-10,15-16,21-22,27-28,31-34,36,38-40,42,44-64H2,1-2H3,(H,75,76)(H2,72,73,74)/p-3/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,37-35-,43-41-/t65-,66+/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](O)COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C68H116O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-56-58-60-68(71)81-66(64-80-83(75,76)79-62-65(69)61-78-82(72,73)74)63-77-67(70)59-57-55-53-51-49-47-45-43-41-39-37-35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,23-26,29-30,35,37,41,43,65-66,69H,3-5,7,9-10,15-16,21-22,27-28,31-34,36,38-40,42,44-64H2,1-2H3,(H,75,76)(H2,72,73,74)/b8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,37-35-,43-41-/t65-,66+/m0/s1 Image of MNXM179989
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:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][CH2:58][CH2:60][C:68](=[O:71])[O:81][C@H:66]([CH2:63][O:77][C:67]([CH2:59][CH2:57][CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45]/[CH:43]=[CH:41]\[CH2:39]/[CH:37]=[CH:35]\[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:70])[CH2:64][O:80][P:83]([OH:75])(=[O:76])[O:79][CH2:62][C@H:65]([CH2:61][O:78][P:82]([OH:72])([OH:73])=[O:74])[OH:69]
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:000470916
slm:000470916
DTCFKOUIUFOVGB-TXLQHCRGSA-K 		1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-(19Z,22Z,25Z,28Z-tetratriacontatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
PGP(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/34:4(19Z,22Z,25Z,28Z))
Phosphatidylglycerophosphate (28:6(10Z,13Z,16Z,19Z,22Z,25Z)/34:4(19Z,22Z,25Z,28Z))