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PC(P-18:1(9Z)/P-18:1(9Z))

PropertiesImage
MNX_IDMNXM129093 Image of MNXM129093
referencechebi:170718
formulaC44H84NO6P
global charge0
mol weight754.131
InChIKeyWBQMXDUFWFHART-DZZHLSRZSA-N
InChIInChI=1S/C44H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36-37,39-40,44H,6-19,24-35,38,41-43H2,1-5H3/b22-20-,23-21-,39-36-,40-37-/t44-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36-37,39-40,44H,6-19,24-35,38,41-43H2,1-5H3/b22-20-,23-21-,39-36-,40-37-/t44-/m1/s1 Image of MNXM129093
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34]/[CH:36]=[CH:39]\[O:48][CH2:42][C@H:44]([CH2:43][O:51][P:52](=[O:46])([O-:47])[O:50][CH2:41][CH2:38][N+:45]([CH3:3])([CH3:4])[CH3:5])[O:49]/[CH:40]=[CH:37]\[CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25]/[CH:23]=[CH:21]\[CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2]
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:170718
chebi:170718
WBQMXDUFWFHART-DZZHLSRZSA-N
PC(P-18:1(9Z)/P-18:1(9Z))
[(2R)-2,3-bis[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
hmdb:HMDB0011334
WBQMXDUFWFHART-DZZHLSRZSA-N
PC(P-18:1(9Z)/P-18:1(9Z))
(2R)-2,3-Bis[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl 2-(trimethylazaniumyl)ethyl phosphoric acid
(2R)-2,3-bis[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate
(2R)-2,3-bis[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate

hmdb:HMDB11334
secondary/obsolete/fantasy identifier