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1-butanoyl-2-triacontanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM344495 Image of MNXM344495
referenceslm:000012653
formulaC42H84NO8P
global charge0
mol weight762.107
InChIKeyHXYGQNGUXCVJKU-RRHRGVEJSA-N
InChIInChI=1S/C42H84NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-42(45)51-40(38-48-41(44)34-7-2)39-50-52(46,47)49-37-36-43(3,4)5/h40H,6-39H2,1-5H3/t40-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C42H84NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-42(45)51-40(38-48-41(44)34-7-2)39-50-52(46,47)49-37-36-43(3,4)5/h40H,6-39H2,1-5H3/t40-/m1/s1 Image of MNXM344495
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][C:42](=[O:45])[O:51][C@H:40]([CH2:38][O:48][C:41]([CH2:34][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

SLM:000012653
slm:000012653
HXYGQNGUXCVJKU-RRHRGVEJSA-N
1-butanoyl-2-triacontanoyl-sn-glycero-3-phosphocholine
PC(4:0/30:0)
Phosphatidylcholine (4:0/30:0)