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1,2-dihexadec-9-enoyl-sn-glycerol 3-phosphate

PropertiesImage
MNX_IDMNXM90510 Image of MNXM90510
referencebiggM:pa161
formulaC35H64O8P
global charge-1
mol weight643.863
InChIKeyYLDMPBGXNLGSQO-UHFFFAOYSA-M
InChIInChI=1S/C35H65O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33H,3-12,17-32H2,1-2H3,(H2,38,39,40)/p-1
SMILESCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])O)OC(=O)CCCCCCCC=CCCCCCC
MNX internals
InChI (mnx)InChI=1/C35H65O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33H,3-12,17-32H2,1-2H3,(H2,38,39,40)/b15-13?,16-14?/t33? Image of MNXM90510
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][C:34](=[O:36])[O:41][CH2:31][CH:33]([CH2:32][O:42][P:44]([OH:38])([OH:39])=[O:40])[O:43][C:35]([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:37]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)22
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:pa161
biggM:pa161
YLDMPBGXNLGSQO-UHFFFAOYSA-M
1,2-dihexadec-9-enoyl-sn-glycerol 3-phosphate

seed.compound:cpd15525
seedM:cpd15525
1,2-dihexadec-9-enoyl-sn-glycerol 3-phosphate
pa161

biggM:M_pa161
seedM:M_cpd15525
secondary/obsolete/fantasy identifier