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PC(19:1(9Z)/18:4(6Z,9Z,12Z,15Z))

PropertiesImage
MNX_IDMNXM69939 Image of MNXM69939
referencelipidmapsM:LMGP01011772
formulaC45H80NO8P
global charge0
mol weight794.108
InChIKeyHLVHJOGDHOONHN-AMNSAOOHSA-N
InChIInChI=1S/C45H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21-24,28,30,43H,6-8,10,12-14,16,18-20,25-27,29,31-42H2,1-5H3/b11-9-,17-15-,23-21-,24-22-,30-28-/t43-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C45H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21-24,28,30,43H,6-8,10,12-14,16,18-20,25-27,29,31-42H2,1-5H3/b11-9-,17-15-,23-21-,24-22-,30-28-/t43-/m1/s1 Image of MNXM69939
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20]/[CH:22]=[CH:24]\[CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:44](=[O:47])[O:51][CH2:41][C@H:43]([CH2:42][O:53][P:55](=[O:49])([O-:50])[O:52][CH2:40][CH2:39][N+:46]([CH3:3])([CH3:4])[CH3:5])[O:54][C:45]([CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:26]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13]/[CH:11]=[CH:9]\[CH2:7][CH3:2])=[O:48]
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

lipidmaps:LMGP01011772
lipidmapsM:LMGP01011772
HLVHJOGDHOONHN-AMNSAOOHSA-N
PC(19:1(9Z)/18:4(6Z,9Z,12Z,15Z))
1-(9Z-nonadecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycero-3-phosphocholine
PC 37:5
PC(18:4_19:1)
PC(37:5)