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1-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-2-(13-methyltetradecanoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM180901 Image of MNXM180901
referenceslm:000007852
formulaC51H92NO8P
global charge0
mol weight878.27
InChIKeyMFAYGZXCSVXGAT-KRFQWSJXSA-N
InChIInChI=1S/C51H92NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-33-36-39-42-50(53)57-46-49(47-59-61(55,56)58-45-44-52(4,5)6)60-51(54)43-40-37-34-31-28-29-32-35-38-41-48(2)3/h11-12,14-15,17-18,20-21,23-24,48-49H,7-10,13,16,19,22,25-47H2,1-6H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t49-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C51H92NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30-33-36-39-42-50(53)57-46-49(47-59-61(55,56)58-45-44-52(4,5)6)60-51(54)43-40-37-34-31-28-29-32-35-38-41-48(2)3/h11-12,14-15,17-18,20-21,23-24,48-49H,7-10,13,16,19,22,25-47H2,1-6H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t49-/m1/s1 Image of MNXM180901
SMILES (mnx)[CH3:1][CH2:7][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][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][C:50](=[O:53])[O:57][CH2:46][C@H:49]([CH2:47][O:59][P:61](=[O:55])([O-:56])[O:58][CH2:45][CH2:44][N+:52]([CH3:4])([CH3:5])[CH3:6])[O:60][C:51]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:28][CH2:29][CH2:32][CH2:35][CH2:38][CH2:41][CH:48]([CH3:2])[CH3:3])=[O:54]
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:000007852
slm:000007852
MFAYGZXCSVXGAT-KRFQWSJXSA-N
1-(10Z,13Z,16Z,19Z,22Z-octacosapentaenoyl)-2-(13-methyltetradecanoyl)-sn-glycero-3-phosphocholine
PC(28:5(10Z,13Z,16Z,19Z,22Z)/15:0)
Phosphatidylcholine (28:5(10Z,13Z,16Z,19Z,22Z)/15:0)