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1-(10Z,13Z,16Z-docosatrienoyl)-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM182335 Image of MNXM182335
referenceslm:000020945
formulaC55H89O8P
global charge-2
mol weight909.283
InChIKeyKGXNGDANMXYUBJ-XWCLOFGGSA-L
InChIInChI=1S/C55H91O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-55(57)63-53(52-62-64(58,59)60)51-61-54(56)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-31,33,53H,3-4,6,8-10,15-16,21-22,25,28,32,34-52H2,1-2H3,(H2,58,59,60)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,33-31-/t53-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C55H91O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-50-55(57)63-53(52-62-64(58,59)60)51-61-54(56)49-47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-31,33,53H,3-4,6,8-10,15-16,21-22,25,28,32,34-52H2,1-2H3,(H2,58,59,60)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,33-31-/t53-/m1/s1 Image of MNXM182335
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:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:57])[O:63][C@H:53]([CH2:51][O:61][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:56])[CH2:52][O:62][P:64]([OH:58])([OH:59])=[O:60]
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:000020945
slm:000020945
KGXNGDANMXYUBJ-XWCLOFGGSA-L
1-(10Z,13Z,16Z-docosatrienoyl)-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phosphate
PA(22:3(10Z,13Z,16Z)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))
Phosphatidate (22:3(10Z,13Z,16Z)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))