| Properties | Image |
MNX_ID | MNXM69873 |
 |
reference | chebi:167591 |
formula | C48H76NO8P |
global charge | 0 |
mol weight | 826.109 |
InChIKey | LRGYRWJUCCOMPI-QYRRMXKSSA-N |
InChI | InChI=1S/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,35,37,46H,6-7,12-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1 |
SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C |
MNX internals
InChI (mnx) | InChI=1/C48H76NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,35,37,46H,6-7,12-13,18-19,23,27-28,33-34,36,38-45H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,25-24-,26-21-,31-29-,32-30-,37-35-/t46-/m1/s1 |
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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]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33]/[CH:35]=[CH:37]\[CH2:39][CH2:41][C:48](=[O:51])[O:57][C@H:46]([CH2:44][O:54][C:47]([CH2:40][CH2:38][CH2:36][CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:50])[CH2:45][O:56][P:58](=[O:52])([O-:53])[O:55][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5] |
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Parent-child relations graph |
Occurences in reactions | #reac |
in my sandbox |
0 |
in MNXref (generic) | 0 |
in models (compartimentalized) |
0 |
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Similar chemical compounds in external resources
Identifier | Description |
CHEBI:167591 chebi:167591 LRGYRWJUCCOMPI-QYRRMXKSSA-N
| phosphatidylcholine 18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z) PC 18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z) PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) phosphatidylcholine(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
|
SLM:000010955 slm:000010955 LRGYRWJUCCOMPI-QYRRMXKSSA-N
| 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Phosphatidylcholine (18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
|
hmdb:HMDB0008255 LRGYRWJUCCOMPI-QYRRMXKSSA-N
| PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium 1-(6Z,9Z,12Z,15Z-Octadecatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine 1-Stearidonoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine GPCho(18:4/22:6) GPCho(40:10) Lecithin PC(18:4/22:6) PC(40:10) Phosphatidylcholine(18:4/22:6) Phosphatidylcholine(40:10)
|
lipidmaps:LMGP01011730 lipidmapsM:LMGP01011730 LRGYRWJUCCOMPI-QYRRMXKSSA-N
| PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycero-3-phosphocholine PC 40:10 PC(18:4_22:6) PC(40:10)
|
hmdb:HMDB08255
| secondary/obsolete/fantasy identifier
|