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1-(15Z-tetracosenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM233558 Image of MNXM233558
referenceslm:000009501
formulaC54H100NO8P
global charge0
mol weight922.367
InChIKeyGJFFTDXPSVAFAJ-GYGOFPJGSA-N
InChIInChI=1S/C54H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,31,52H,6-14,16,18-19,24-27,29-30,32-51H2,1-5H3/b17-15-,22-20-,23-21-,31-28-/t52-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C54H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,31,52H,6-14,16,18-19,24-27,29-30,32-51H2,1-5H3/b17-15-,22-20-,23-21-,31-28-/t52-/m1/s1 Image of MNXM233558
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:27][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:53](=[O:56])[O:60][CH2:50][C@H:52]([CH2:51][O:62][P:64](=[O:58])([O-:59])[O:61][CH2:49][CH2:48][N+:55]([CH3:3])([CH3:4])[CH3:5])[O:63][C:54]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:28]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:57]
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:000009501
slm:000009501
GJFFTDXPSVAFAJ-GYGOFPJGSA-N
1-(15Z-tetracosenoyl)-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphocholine
PC(24:1(15Z)/22:3(10Z,13Z,16Z))
Phosphatidylcholine (24:1(15Z)/22:3(10Z,13Z,16Z))