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1-acetyl-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM342372 Image of MNXM342372
referenceslm:000012515
formulaC42H72NO8P
global charge0
mol weight750.011
InChIKeyJVHBHIJUDOYYQW-VJOSCBMISA-N
InChIInChI=1S/C42H72NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-42(45)51-41(38-48-40(2)44)39-50-52(46,47)49-37-36-43(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,41H,6,9,12,15,18,21,24-39H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t41-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C42H72NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-42(45)51-41(38-48-40(2)44)39-50-52(46,47)49-37-36-43(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,41H,6,9,12,15,18,21,24-39H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t41-/m1/s1 Image of MNXM342372
SMILES (mnx)[CH3:1][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:42](=[O:45])[O:51][C@H:41]([CH2:38][O:48][C:40]([CH3:2])=[O:44])[CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5]
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:000012515
slm:000012515
JVHBHIJUDOYYQW-VJOSCBMISA-N
1-acetyl-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phosphocholine
PC(2:0/32:6(14Z,17Z,20Z,23Z,26Z,29Z))
Phosphatidylcholine (2:0/32:6(14Z,17Z,20Z,23Z,26Z,29Z))