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1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-heptadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM233242 Image of MNXM233242
referenceslm:000009485
formulaC55H102NO8P
global charge0
mol weight936.394
InChIKeyUVHCXEOSDZOVKR-CBJAQTKESA-N
InChIInChI=1S/C55H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-54(57)61-51-53(52-63-65(59,60)62-50-49-56(3,4)5)64-55(58)48-46-44-42-40-38-35-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27-28,53H,6-13,15,17-19,21,23,26,29-52H2,1-5H3/b16-14-,22-20-,25-24-,28-27-/t53-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C55H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-36-37-39-41-43-45-47-54(57)61-51-53(52-63-65(59,60)62-50-49-56(3,4)5)64-55(58)48-46-44-42-40-38-35-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,27-28,53H,6-13,15,17-19,21,23,26,29-52H2,1-5H3/b16-14-,22-20-,25-24-,28-27-/t53-/m1/s1 Image of MNXM233242
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:54](=[O:57])[O:61][CH2:51][C@H:53]([CH2:52][O:63][P:65](=[O:59])([O-:60])[O:62][CH2:50][CH2:49][N+:56]([CH3:3])([CH3:4])[CH3:5])[O:64][C:55]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:35][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:58]
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:000009485
slm:000009485
UVHCXEOSDZOVKR-CBJAQTKESA-N
1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-heptadecanoyl-sn-glycero-3-phosphocholine
PC(30:4(15Z,18Z,21Z,24Z)/17:0)
Phosphatidylcholine (30:4(15Z,18Z,21Z,24Z)/17:0)