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PA(19:1(9Z)/17:0)

PropertiesImage
MNX_IDMNXM66856 Image of MNXM66856
referencechebi:178739
formulaC39H75O8P
global charge0
mol weight702.995
InChIKeyOTWBRCVHEBHDMX-PLOGQBHYSA-N
InChIInChI=1S/C39H75O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h19-20,37H,3-18,21-36H2,1-2H3,(H2,42,43,44)/b20-19-/t37-/m1/s1
SMILESCCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C39H75O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h19-20,37H,3-18,21-36H2,1-2H3,(H2,42,43,44)/b20-19-/t37-/m1/s1 Image of MNXM66856
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:20]\[CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:38](=[O:40])[O:45][CH2:35][C@H: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][CH2:21][CH2:18][CH2:16][CH2:14][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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:178739
chebi:178739
OTWBRCVHEBHDMX-PLOGQBHYSA-N
PA(19:1(9Z)/17:0)
[(2R)-2-heptadecanoyloxy-3-phosphonooxypropyl] (Z)-nonadec-9-enoate

lipidmaps:LMGP10010486
lipidmapsM:LMGP10010486
OTWBRCVHEBHDMX-PLOGQBHYSA-N
PA(19:1(9Z)/17:0)
1-(9Z-nonadecenoyl)-2-heptadecanoyl-glycero-3-phosphate
PA 36:1
PA(17:0_19:1)
PA(36:1)