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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-hexacosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM216755 Image of MNXM216755
referenceslm:000008933
formulaC62H114NO8P
global charge0
mol weight1032.567
InChIKeyFRKQVPJHRSNATI-NIAKPUHOSA-N
InChIInChI=1S/C62H114NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-31-33-34-36-38-40-42-44-46-48-50-52-54-61(64)68-58-60(59-70-72(66,67)69-57-56-63(3,4)5)71-62(65)55-53-51-49-47-45-43-41-39-37-35-32-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,31,33,60H,6-7,9,11-13,15,17-19,21,23-25,27,29-30,32,34-59H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,33-31-/t60-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C62H114NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-31-33-34-36-38-40-42-44-46-48-50-52-54-61(64)68-58-60(59-70-72(66,67)69-57-56-63(3,4)5)71-62(65)55-53-51-49-47-45-43-41-39-37-35-32-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26,28,31,33,60H,6-7,9,11-13,15,17-19,21,23-25,27,29-30,32,34-59H2,1-5H3/b10-8-,16-14-,22-20-,28-26-,33-31-/t60-/m1/s1 Image of MNXM216755
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:28]\[CH2:30]/[CH:31]=[CH:33]\[CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:61](=[O:64])[O:68][CH2:58][C@H:60]([CH2:59][O:70][P:72](=[O:66])([O-:67])[O:69][CH2:57][CH2:56][N+:63]([CH3:3])([CH3:4])[CH3:5])[O:71][C:62]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:65]
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:000008933
slm:000008933
FRKQVPJHRSNATI-NIAKPUHOSA-N
1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-hexacosanoyl-sn-glycero-3-phosphocholine
PC(28:5(13Z,16Z,19Z,22Z,25Z)/26:0)
Phosphatidylcholine (28:5(13Z,16Z,19Z,22Z,25Z)/26:0)