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1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM67247 Image of MNXM67247
referenceslm:000023519
formulaC43H69O8P
global charge-2
mol weight744.991
InChIKeyCCJOTWSAFYCUEB-KDYOSRPUSA-L
InChIInChI=1S/C43H71O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,41H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-40H2,1-2H3,(H2,46,47,48)/p-2/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H71O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,25,27,31,33,41H,3-4,6,8-10,12,14-16,20,24,26,28-30,32,34-40H2,1-2H3,(H2,46,47,48)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t41-/m1/s1 Image of MNXM67247
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:24]/[CH:25]=[CH:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][C:42](=[O:44])[O:49][CH2:39][C@H:41]([CH2:40][O:50][P:52]([OH:46])([OH:47])=[O:48])[O:51][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26]/[CH:23]=[CH:18]\[CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45]
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:000023519
slm:000023519
CCJOTWSAFYCUEB-KDYOSRPUSA-L 		1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
Phosphatidate (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
hmdb:HMDB0115408
CCJOTWSAFYCUEB-KDYOSRPUSA-N 		PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxyphosphonic acid
1-docosahexaenoyl-2-oleoyl-sn-glycero-3-phosphate
1-docosahexaenoyl-2-oleoyl-sn-phosphatidic acid
PA(22:6/18:1)
PA(22:6n3/18:1n9)
PA(22:6w3/18:1w9)
PA(40:7)
Phosphatidate(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
Phosphatidate(22:6/18:1)
Phosphatidate(22:6n3/18:1n9)
Phosphatidate(22:6w3/18:1w9)
Phosphatidate(40:7)
Phosphatidic acid(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
Phosphatidic acid(22:6/18:1)
Phosphatidic acid(22:6n3/18:1n9)
Phosphatidic acid(22:6w3/18:1w9)
Phosphatidic acid(40:7)
[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid

lipidmaps:LMGP10010827
lipidmapsM:LMGP10010827
CCJOTWSAFYCUEB-KDYOSRPUSA-N 		PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-octadecenoyl)-glycero-3-phosphate
PA 40:7
PA(18:1_22:6)
PA(40:7)