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PC(16:0/18:2(9E,12E))

PropertiesImage
MNX_IDMNXM1107144 Image of MNXM1107144
referencechebi:196822
formulaC42H80NO8P
global charge0
mol weight758.075
InChIKeyJLPULHDHAOZNQI-JLOPVYAASA-N
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m1/s1
SMILESCCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m1/s1 Image of MNXM1107144
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]/[CH2:18]/[CH:20]=[CH:21]/[CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:42](=[O:45])[O:51][C@H:40]([CH2:38][O:48][C:41]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:44])[CH2:39][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:37][CH2:36][N+:43]([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

CHEBI:196822
chebi:196822
JLPULHDHAOZNQI-JLOPVYAASA-N
PC(16:0/18:2(9E,12E))
[(2R)-3-hexadecanoyloxy-2-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

lipidmaps:LMGP01010592
lipidmapsM:LMGP01010592
JLPULHDHAOZNQI-JLOPVYAASA-N
PC(16:0/18:2(9E,12E))
1-hexadecanoyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphocholine
PC 34:2
PC(16:0/18:2)
PC(16:0_18:2)
PC(34:2)