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1-(10Z,13Z,16Z-docosatrienoyl)-2-octacosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM185163 Image of MNXM185163
referenceslm:000007989
formulaC58H110NO8P
global charge0
mol weight980.491
InChIKeyLQNPNAGLMMCWLS-AKPCKFBCSA-N
InChIInChI=1S/C58H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-58(61)67-56(55-66-68(62,63)65-53-52-59(3,4)5)54-64-57(60)50-48-46-44-42-40-38-36-34-32-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,32,34,56H,6-14,16,18-20,22,24-31,33,35-55H2,1-5H3/b17-15-,23-21-,34-32-/t56-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H110NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-58(61)67-56(55-66-68(62,63)65-53-52-59(3,4)5)54-64-57(60)50-48-46-44-42-40-38-36-34-32-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,32,34,56H,6-14,16,18-20,22,24-31,33,35-55H2,1-5H3/b17-15-,23-21-,34-32-/t56-/m1/s1 Image of MNXM185163
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][C:58](=[O:61])[O:67][C@H:56]([CH2:54][O:64][C:57]([CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:60])[CH2:55][O:66][P:68](=[O:62])([O-:63])[O:65][CH2:53][CH2:52][N+:59]([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:000007989
slm:000007989
LQNPNAGLMMCWLS-AKPCKFBCSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-octacosanoyl-sn-glycero-3-phosphocholine
PC(22:3(10Z,13Z,16Z)/28:0)
Phosphatidylcholine (22:3(10Z,13Z,16Z)/28:0)