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1-docosanoyl-2-(9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM348052 Image of MNXM348052
referenceslm:000012785
formulaC54H98NO8P
global charge0
mol weight920.351
InChIKeyRIPTXSYBYYXYPI-PQHBMHLHSA-N
InChIInChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26-27,31,33,52H,6-7,9,11-13,15,17-19,21,23-25,28-30,32,34-51H2,1-5H3/b10-8-,16-14-,22-20-,27-26-,33-31-/t52-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,26-27,31,33,52H,6-7,9,11-13,15,17-19,21,23-25,28-30,32,34-51H2,1-5H3/b10-8-,16-14-,22-20-,27-26-,33-31-/t52-/m1/s1 Image of MNXM348052
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:27]\[CH2:29]/[CH:31]=[CH:33]\[CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:54](=[O:57])[O:63][C@H:52]([CH2:50][O:60][C:53]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:56])[CH2:51][O:62][P:64](=[O:58])([O-:59])[O:61][CH2:49][CH2:48][N+:55]([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:000012785
slm:000012785
RIPTXSYBYYXYPI-PQHBMHLHSA-N
1-docosanoyl-2-(9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl)-sn-glycero-3-phosphocholine
PC(22:0/24:5(9Z,12Z,15Z,18Z,21Z))
Phosphatidylcholine (22:0/24:5(9Z,12Z,15Z,18Z,21Z))