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1-octadecanoyl-2-heneicosanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM66648 Image of MNXM66648
referenceslm:000026580
formulaC42H81O8P
global charge-2
mol weight745.076
InChIKeyXOOZXKKNCBZUPF-RRHRGVEJSA-L
InChIInChI=1S/C42H83O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h40H,3-39H2,1-2H3,(H2,45,46,47)/p-2/t40-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C42H83O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h40H,3-39H2,1-2H3,(H2,45,46,47)/t40-/m1/s1 Image of MNXM66648
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:44])[O:50][C@H:40]([CH2:38][O:48][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43])[CH2:39][O:49][P:51]([OH:45])([OH:46])=[O:47]
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:000026580
slm:000026580
XOOZXKKNCBZUPF-RRHRGVEJSA-L
1-octadecanoyl-2-heneicosanoyl-sn-glycero-3-phosphate
PA(18:0/21:0)
Phosphatidate (18:0/21:0)

lipidmaps:LMGP10010317
lipidmapsM:LMGP10010317
XOOZXKKNCBZUPF-RRHRGVEJSA-N
PA(18:0/21:0)
1-octadecanoyl-2-heneicosanoyl-glycero-3-phosphate
PA 39:0
PA(18:0_21:0)
PA(39:0)