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1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-heptadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70611 Image of MNXM70611
referenceslm:000010512
formulaC47H82NO8P
global charge0
mol weight820.146
InChIKeyTYUCTNKFULMSFX-HHVWNRRMSA-N
InChIInChI=1S/C47H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28-29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26-27,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-28-,35-33-/t45-/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-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C47H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48(3,4)5)56-47(50)40-38-36-34-32-30-27-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,28-29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26-27,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-28-,35-33-/t45-/m1/s1 Image of MNXM70611
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:28]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][C:46](=[O:49])[O:53][CH2:43][C@H:45]([CH2:44][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:42][CH2:41][N+:48]([CH3:3])([CH3:4])[CH3:5])[O:56][C:47]([CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:50]
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:000010512
slm:000010512
TYUCTNKFULMSFX-HHVWNRRMSA-N
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-heptadecanoyl-sn-glycero-3-phosphocholine
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)
Phosphatidylcholine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)

lipidmaps:LMGP01012104
lipidmapsM:LMGP01012104
TYUCTNKFULMSFX-HHVWNRRMSA-N
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-heptadecanoyl-glycero-3-phosphocholine
PC 39:6
PC(17:0_22:6)
PC(39:6)