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1-butanoyl-2-(14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM343629 Image of MNXM343629
referenceslm:000490780
formulaC44H78NO8P
global charge0
mol weight780.081
InChIKeyQRMSTJGCPYSLBX-RBFRHVLESA-N
InChIInChI=1S/C44H78NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-44(47)53-42(40-50-43(46)36-7-2)41-52-54(48,49)51-39-38-45(3,4)5/h11-12,14-15,17-18,20-21,23-24,42H,6-10,13,16,19,22,25-41H2,1-5H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t42-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C44H78NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-44(47)53-42(40-50-43(46)36-7-2)41-52-54(48,49)51-39-38-45(3,4)5/h11-12,14-15,17-18,20-21,23-24,42H,6-10,13,16,19,22,25-41H2,1-5H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t42-/m1/s1 Image of MNXM343629
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:9][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][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][C:44](=[O:47])[O:53][C@H:42]([CH2:40][O:50][C:43]([CH2:36][CH2:7][CH3:2])=[O:46])[CH2:41][O:52][P:54](=[O:48])([O-:49])[O:51][CH2:39][CH2:38][N+:45]([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:000490780
slm:000490780
QRMSTJGCPYSLBX-RBFRHVLESA-N
1-butanoyl-2-(14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoyl)-sn-glycero-3-phosphocholine
PC(4:0/32:5(14Z,17Z,20Z,23Z,26Z))
Phosphatidylcholine (4:0/32:5(14Z,17Z,20Z,23Z,26Z))