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1-butanoyl-2-(8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM344063 Image of MNXM344063
referenceslm:000012622
formulaC38H64NO8P
global charge0
mol weight693.903
InChIKeyPQMAQAJAOMDHSJ-IHYUKRTNSA-N
InChIInChI=1S/C38H64NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-38(41)47-36(34-44-37(40)30-7-2)35-46-48(42,43)45-33-32-39(3,4)5/h8-9,11-12,14-15,17-18,20-21,23-24,36H,6-7,10,13,16,19,22,25-35H2,1-5H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t36-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C38H64NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-38(41)47-36(34-44-37(40)30-7-2)35-46-48(42,43)45-33-32-39(3,4)5/h8-9,11-12,14-15,17-18,20-21,23-24,36H,6-7,10,13,16,19,22,25-35H2,1-5H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t36-/m1/s1 Image of MNXM344063
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][C:38](=[O:41])[O:47][C@H:36]([CH2:34][O:44][C:37]([CH2:30][CH2:7][CH3:2])=[O:40])[CH2:35][O:46][P:48](=[O:42])([O-:43])[O:45][CH2:33][CH2:32][N+:39]([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:000012622
slm:000012622
PQMAQAJAOMDHSJ-IHYUKRTNSA-N
1-butanoyl-2-(8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoyl)-sn-glycero-3-phosphocholine
PC(4:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))
Phosphatidylcholine (4:0/26:6(8Z,11Z,14Z,17Z,20Z,23Z))