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PC(P-16:0/P-16:0)

PropertiesImage
MNX_IDMNXM129081 Image of MNXM129081
referencechebi:180661
formulaC40H80NO6P
global charge0
mol weight702.055
InChIKeyVKQPPRFFLYKMPX-JIRBQVQQSA-N
InChIInChI=1S/C40H80NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32-33,35-36,40H,6-31,34,37-39H2,1-5H3/b35-32-,36-33-/t40-/m1/s1
SMILESCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O/C=C\CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C40H80NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h32-33,35-36,40H,6-31,34,37-39H2,1-5H3/b35-32-,36-33-/t40-/m1/s1 Image of MNXM129081
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30]/[CH:32]=[CH:35]\[O:44][CH2:38][C@H:40]([CH2:39][O:47][P:48](=[O:42])([O-:43])[O:46][CH2:37][CH2:34][N+:41]([CH3:3])([CH3:4])[CH3:5])[O:45]/[CH:36]=[CH:33]\[CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][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:180661
chebi:180661
VKQPPRFFLYKMPX-JIRBQVQQSA-N
PC(P-16:0/P-16:0)
[(2R)-2,3-bis[(Z)-hexadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
hmdb:HMDB0011232
VKQPPRFFLYKMPX-JIRBQVQQSA-N
PC(P-16:0/P-16:0)
(2R)-2,3-Bis[(1Z)-hexadec-1-en-1-yloxy]propyl 2-(trimethylazaniumyl)ethyl phosphoric acid
(2R)-2,3-bis[(1Z)-hexadec-1-en-1-yloxy]propyl 2-(trimethylammonio)ethyl phosphate
(2R)-2,3-bis[(1Z)-hexadec-1-en-1-yloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate

hmdb:HMDB11232
secondary/obsolete/fantasy identifier