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1,2-di-(15-methylhexadecanoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM175098 Image of MNXM175098
referenceslm:000012438
formulaC42H84NO8P
global charge0
mol weight762.107
InChIKeyKIWDVNXXPOARCO-RRHRGVEJSA-N
InChIInChI=1S/C42H84NO8P/c1-38(2)30-26-22-18-14-10-8-12-16-20-24-28-32-41(44)48-36-40(37-50-52(46,47)49-35-34-43(5,6)7)51-42(45)33-29-25-21-17-13-9-11-15-19-23-27-31-39(3)4/h38-40H,8-37H2,1-7H3/t40-/m1/s1
SMILESCC(C)CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C42H84NO8P/c1-38(2)30-26-22-18-14-10-8-12-16-20-24-28-32-41(44)48-36-40(37-50-52(46,47)49-35-34-43(5,6)7)51-42(45)33-29-25-21-17-13-9-11-15-19-23-27-31-39(3)4/h38-40H,8-37H2,1-7H3/t40-/m1/s1 Image of MNXM175098
SMILES (mnx)[CH3:1][CH:38]([CH3:2])[CH2:30][CH2:26][CH2:22][CH2:18][CH2:14][CH2:10][CH2:8][CH2:12][CH2:16][CH2:20][CH2:24][CH2:28][CH2:32][C:41](=[O:44])[O:48][CH2:36][C@H:40]([CH2:37][O:50][P:52](=[O:46])([O-:47])[O:49][CH2:35][CH2:34][N+:43]([CH3:5])([CH3:6])[CH3:7])[O:51][C:42]([CH2:33][CH2:29][CH2:25][CH2:21][CH2:17][CH2:13][CH2:9][CH2:11][CH2:15][CH2:19][CH2:23][CH2:27][CH2:31][CH:39]([CH3:3])[CH3:4])=[O:45]
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:000012438
slm:000012438
KIWDVNXXPOARCO-RRHRGVEJSA-N
1,2-di-(15-methylhexadecanoyl)-sn-glycero-3-phosphocholine
PC(17:0/17:0)
Phosphatidylcholine (17:0/17:0)