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1-acetyl-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM342274 Image of MNXM342274
referenceslm:000012508
formulaC40H68NO8P
global charge0
mol weight721.957
InChIKeyOIPPJBJOWSLDQN-FYZLKBJSSA-N
InChIInChI=1S/C40H68NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-40(43)49-39(36-46-38(2)42)37-48-50(44,45)47-35-34-41(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,39H,6,9,12,15,18,21,24-37H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t39-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C40H68NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-40(43)49-39(36-46-38(2)42)37-48-50(44,45)47-35-34-41(3,4)5/h7-8,10-11,13-14,16-17,19-20,22-23,39H,6,9,12,15,18,21,24-37H2,1-5H3/b8-7-,11-10-,14-13-,17-16-,20-19-,23-22-/t39-/m1/s1 Image of MNXM342274
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][C:40](=[O:43])[O:49][C@H:39]([CH2:36][O:46][C:38]([CH3:2])=[O:42])[CH2:37][O:48][P:50](=[O:44])([O-:45])[O:47][CH2:35][CH2:34][N+:41]([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:000012508
slm:000012508
OIPPJBJOWSLDQN-FYZLKBJSSA-N
1-acetyl-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phosphocholine
PC(2:0/30:6(12Z,15Z,18Z,21Z,24Z,27Z))
Phosphatidylcholine (2:0/30:6(12Z,15Z,18Z,21Z,24Z,27Z))