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1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine

PropertiesImage
MNX_IDMNXM25198 Image of MNXM25198
referencechebi:169340
formulaC42H80NO6P
global charge0
mol weight726.077
InChIKeyMUSFKPDYXFFNIK-WVFZDJPZSA-N
InChIInChI=1S/C42H80NO6P/c1-5-6-7-8-9-10-11-12-13-15-18-21-29-46-33-36(34-49-50(44,45)48-31-28-43(2,3)4)47-30-22-19-16-14-17-20-23-35-24-25-39-40(32-35)42-38-27-26-37(38)41(39)42/h35-42H,5-34H2,1-4H3/t35?,36-,37?,38?,39?,40?,41?,42?/m1/s1
SMILESCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCC1CCC2C(C1)C1C3CCC3C21
MNX internals
InChI (mnx)InChI=1/C42H80NO6P/c1-5-6-7-8-9-10-11-12-13-15-18-21-29-46-33-36(34-49-50(44,45)48-31-28-43(2,3)4)47-30-22-19-16-14-17-20-23-35-24-25-39-40(32-35)42-38-27-26-37(38)41(39)42/h35-42H,5-34H2,1-4H3/t35?,36-,37?,38?,39?,40?,41?,42?/m1/s1 Image of MNXM25198
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:15][CH2:18][CH2:21][CH2:29][O:46][CH2:33][C@H:36]([CH2:34][O:49][P:50](=[O:44])([O-:45])[O:48][CH2:31][CH2:28][N+:43]([CH3:2])([CH3:3])[CH3:4])[O:47][CH2:30][CH2:22][CH2:19][CH2:16][CH2:14][CH2:17][CH2:20][CH2:23][CH:35]1[CH2:24][CH2:25][CH:39]2[CH:40]([CH2:32]1)[CH:42]1[CH:38]3[CH2:27][CH2:26][CH:37]3[CH:41]21
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:169340
chebi:169340
MUSFKPDYXFFNIK-WVFZDJPZSA-N
1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine
[(2R)-2-[8-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)octoxy]-3-tetradecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

lipidmaps:LMGP01040094
lipidmapsM:LMGP01040094
MUSFKPDYXFFNIK-WVFZDJPZSA-N
1-tetradecanyl-2-(8-[3]-ladderane-octanyl)-sn-glycerophosphocholine
PC dO-34:4