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1,2-dioctadec-11-enoyl-sn-glycerol 3-phosphate

PropertiesImage
MNX_IDMNXM90511 Image of MNXM90511
referencebiggM:pa181
formulaC39H72O8P
global charge-1
mol weight699.971
InChIKeyLMYYBYHAZAFVTR-UHFFFAOYSA-M
InChIInChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36H2,1-2H3,(H2,42,43,44)/p-1
SMILESCCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])O)OC(=O)CCCCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37H,3-12,17-36H2,1-2H3,(H2,42,43,44)/b15-13?,16-14?/t37? Image of MNXM90511
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:40])[O:45][CH2:35][CH:37]([CH2:36][O:46][P:48]([OH:42])([OH:43])=[O:44])[O:47][C:39]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH:16]=[CH:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 17
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:pa181
biggM:pa181
vmhM:pa181
vmhmetabolite:pa181
LMYYBYHAZAFVTR-UHFFFAOYSA-L
LMYYBYHAZAFVTR-UHFFFAOYSA-M
1,2-dioctadec-11-enoyl-sn-glycerol 3-phosphate

seed.compound:cpd15527
seedM:cpd15527
1,2-dioctadec-11-enoyl-sn-glycerol 3-phosphate
pa181

biggM:M_pa181
seedM:M_cpd15527
vmhM:M_pa181
secondary/obsolete/fantasy identifier