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1,2-didocosanoyl-sn-glycero-3-phosphosulfocholine

PropertiesImage
MNX_IDMNXM25630 Image of MNXM25630
referencelipidmapsM:LMGP00000054
formulaC51H101O8PS
global charge0
mol weight905.402
InChIKeySNZJTWYFEIQNHP-ANFMRNGASA-N
InChIInChI=1S/C51H101O8PS/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-60(54,55)57-45-46-61(3)4)59-51(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h49H,5-48H2,1-4H3/t49-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[S+](C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H101O8PS/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-50(52)56-47-49(48-58-60(54,55)57-45-46-61(3)4)59-51(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h49H,5-48H2,1-4H3/t49-/m1/s1 Image of MNXM25630
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:50](=[O:52])[O:56][CH2:47][C@H:49]([CH2:48][O:58][P:60](=[O:54])([O-:55])[O:57][CH2:45][CH2:46][S+:61]([CH3:3])[CH3:4])[O:59][C:51]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:53]
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

lipidmaps:LMGP00000054
lipidmapsM:LMGP00000054
SNZJTWYFEIQNHP-ANFMRNGASA-N
1,2-didocosanoyl-sn-glycero-3-phosphosulfocholine