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

PropertiesImage
MNX_IDMNXM342652 Image of MNXM342652
referenceslm:000012531
formulaC32H52NO8P
global charge0
mol weight609.741
InChIKeyCGAUKHIOEKTRFY-YWOOWLTHSA-N
InChIInChI=1S/C32H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32(35)41-31(28-38-30(2)34)29-40-42(36,37)39-27-26-33(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,31H,6,9,12,15,18,21,24-29H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t31-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C32H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32(35)41-31(28-38-30(2)34)29-40-42(36,37)39-27-26-33(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,31H,6,9,12,15,18,21,24-29H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t31-/m1/s1 Image of MNXM342652
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][C:32](=[O:35])[O:41][C@H:31]([CH2:28][O:38][C:30]([CH3:2])=[O:34])[CH2:29][O:40][P:42](=[O:36])([O-:37])[O:39][CH2:27][CH2:26][N+:33]([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:000012531
slm:000012531
CGAUKHIOEKTRFY-YWOOWLTHSA-N
1-acetyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
PC(2:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Phosphatidylcholine (2:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))