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1-(10Z,13Z,16Z-docosatrienoyl)-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM182888 Image of MNXM182888
referenceslm:000020961
formulaC61H101O8P
global charge-2
mol weight993.445
InChIKeyCONCISISQSYLCH-JRMBLKLUSA-L
InChIInChI=1S/C61H103O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-61(63)69-59(58-68-70(64,65)66)57-67-60(62)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-30,37,39,59H,3-4,6,8-10,15-16,21-22,25,28,31-36,38,40-58H2,1-2H3,(H2,64,65,66)/p-2/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,39-37-/t59-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=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/C61H103O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-54-56-61(63)69-59(58-68-70(64,65)66)57-67-60(62)55-53-51-49-47-45-43-41-39-37-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-24,26-27,29-30,37,39,59H,3-4,6,8-10,15-16,21-22,25,28,31-36,38,40-58H2,1-2H3,(H2,64,65,66)/b7-5-,13-11-,14-12-,19-17-,20-18-,24-23-,27-26-,30-29-,39-37-/t59-/m1/s1 Image of MNXM182888
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]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:61](=[O:63])[O:69][C@H:59]([CH2:57][O:67][C:60]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41]/[CH:39]=[CH:37]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:62])[CH2:58][O:68][P:70]([OH:64])([OH:65])=[O:66]
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:000020961
slm:000020961
CONCISISQSYLCH-JRMBLKLUSA-L
1-(10Z,13Z,16Z-docosatrienoyl)-2-(18Z,21Z,24Z,27Z,30Z,33Z-hexatriacontahexaenoyl)-sn-glycero-3-phosphate
PA(22:3(10Z,13Z,16Z)/36:6(18Z,21Z,24Z,27Z,30Z,33Z))
Phosphatidate (22:3(10Z,13Z,16Z)/36:6(18Z,21Z,24Z,27Z,30Z,33Z))