Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM216769 Image of MNXM216769
referenceslm:000008934
formulaC52H94NO8P
global charge0
mol weight892.297
InChIKeyOQPXODULIGPMPG-WKLNFPDOSA-N
InChIInChI=1S/C52H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-32-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26-27,50H,6-7,9,11-13,15,17-19,22,25,28-49H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,27-26-/t50-/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)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C52H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-33-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-32-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26-27,50H,6-7,9,11-13,15,17-19,22,25,28-49H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,27-26-/t50-/m1/s1 Image of MNXM216769
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:51](=[O:54])[O:58][CH2:48][C@H:50]([CH2:49][O:60][P:62](=[O:56])([O-:57])[O:59][CH2:47][CH2:46][N+:53]([CH3:3])([CH3:4])[CH3:5])[O:61][C:52]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:55]
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:000008934
slm:000008934
OQPXODULIGPMPG-WKLNFPDOSA-N
1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
PC(28:5(13Z,16Z,19Z,22Z,25Z)/16:0)
Phosphatidylcholine (28:5(13Z,16Z,19Z,22Z,25Z)/16:0)