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1-decanoyl-2-octacosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM345777 Image of MNXM345777
referenceslm:000012725
formulaC46H92NO8P
global charge0
mol weight818.215
InChIKeyKZBSAIWIVSMMLD-USYZEHPZSA-N
InChIInChI=1S/C46H92NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C46H92NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1 Image of MNXM345777
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][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][CH2:33][CH2:35][CH2:37][CH2:39][C:46](=[O:49])[O:55][C@H:44]([CH2:42][O:52][C:45]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:48])[CH2:43][O:54][P:56](=[O:50])([O-:51])[O:53][CH2:41][CH2:40][N+:47]([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:000012725
slm:000012725
KZBSAIWIVSMMLD-USYZEHPZSA-N
1-decanoyl-2-octacosanoyl-sn-glycero-3-phosphocholine
PC(10:0/28:0)
Phosphatidylcholine (10:0/28:0)