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1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM32114 Image of MNXM32114
referencelipidmapsM:LMGL03050001
formulaC57H88O8
global charge0
mol weight901.323
InChIKeyMURVBZHSZNEGRB-PCWWDKSPSA-N
InChIInChI=1S/C57H88O8/c1-4-7-10-13-16-18-20-22-24-26-28-30-33-37-42-47-55(59)63-51-53(65-57(61)49-44-38-34-31-29-27-25-23-21-19-17-14-11-8-5-2)52-64-56(60)48-43-39-35-40-45-50-62-54(58)46-41-36-32-15-12-9-6-3/h7-8,10-11,16-19,22-25,32,35-36,41,45-46,53H,4-6,9,12-15,20-21,26-31,33-34,37-39,42-44,47-52H2,1-3H3/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,36-32-,46-41+/t40?,53-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCC=C=CCOC(=O)/C=C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C57H88O8/c1-4-7-10-13-16-18-20-22-24-26-28-30-33-37-42-47-55(59)63-51-53(65-57(61)49-44-38-34-31-29-27-25-23-21-19-17-14-11-8-5-2)52-64-56(60)48-43-39-35-40-45-50-62-54(58)46-41-36-32-15-12-9-6-3/h7-8,10-11,16-19,22-25,32,35-36,41,45-46,53H,4-6,9,12-15,20-21,26-31,33-34,37-39,42-44,47-52H2,1-3H3/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,36-32-,46-41+/t40?,53-/m1/s1 Image of MNXM32114
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:18]\[CH2:20]/[CH:22]=[CH:24]\[CH2:26][CH2:28][CH2:30][CH2:33][CH2:37][CH2:42][CH2:47][C:55](=[O:59])[O:63][CH2:51][C@H:53]([CH2:52][O:64][C:56]([CH2:48][CH2:43][CH2:39][CH:35]=[C:40]=[CH:45][CH2:50][O:62][C:54](/[CH:46]=[CH:41]/[CH:36]=[CH:32]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:58])=[O:60])[O:65][C:57]([CH2:49][CH2:44][CH2:38][CH2:34][CH2:31][CH2:29][CH2:27]/[CH:25]=[CH:23]\[CH2:21]/[CH:19]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:61]
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:LMGL03050001
lipidmapsM:LMGL03050001
MURVBZHSZNEGRB-PCWWDKSPSA-N
1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol
O2
TG 54:11

seed.compound:cpd09682
seedM:cpd09682
MURVBZHSZNEGRB-PLSBLKJFSA-N
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)- 5,6-octadienoyl)-sn-glycerol
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol

CHEBI:34041
chebi:34041
kegg.compound:C13867
keggC:C13867
MURVBZHSZNEGRB-PLSBLKJFSA-N
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-decadienoyloxy)-5,6-octadienoyl)-sn-glycerol

keggC:M_C13867
seedM:M_cpd09682
secondary/obsolete/fantasy identifier