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1-(9Z,12Z-octadecadienoyl)-2-(14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM326220 Image of MNXM326220
referenceslm:000490928
formulaC58H102NO8P
global charge0
mol weight972.427
InChIKeyJXUUPOXAHDATPX-QHIUNJAPSA-N
InChIInChI=1S/C58H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-58(61)67-56(55-66-68(62,63)65-53-52-59(3,4)5)54-64-57(60)50-48-46-44-42-40-38-36-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30-31,36,56H,6-13,18-19,23,26,29,32-35,37-55H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,28-27-,31-30-,36-21-/t56-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C58H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-58(61)67-56(55-66-68(62,63)65-53-52-59(3,4)5)54-64-57(60)50-48-46-44-42-40-38-36-21-19-17-15-13-11-9-7-2/h14-17,20-22,24-25,27-28,30-31,36,56H,6-13,18-19,23,26,29,32-35,37-55H2,1-5H3/b16-14-,17-15-,22-20-,25-24-,28-27-,31-30-,36-21-/t56-/m1/s1 Image of MNXM326220
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][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]/[CH:36]=[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:000490928
slm:000490928
JXUUPOXAHDATPX-QHIUNJAPSA-N
1-(9Z,12Z-octadecadienoyl)-2-(14Z,17Z,20Z,23Z,26Z-dotriacontapentaenoyl)-sn-glycero-3-phosphocholine
PC(18:2(9Z,12Z)/32:5(14Z,17Z,20Z,23Z,26Z))
Phosphatidylcholine (18:2(9Z,12Z)/32:5(14Z,17Z,20Z,23Z,26Z))