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1-heneicosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM357817 Image of MNXM357817
referenceslm:000217256
formulaC62H104O6
global charge0
mol weight945.508
InChIKeyIXLUHPXFWAQRIT-VBWIQBKMSA-N
InChIInChI=1S/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33-34,36,41-42,44-45,59H,4-7,9-10,12-16,19,22-25,28,30-32,35,37-40,43,46-58H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,33-27-,36-34-,44-41-,45-42-/t59-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C62H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-35-37-40-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-41-38-33-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17-18,20-21,26-27,29,33-34,36,41-42,44-45,59H,4-7,9-10,12-16,19,22-25,28,30-32,35,37-40,43,46-58H2,1-3H3/b11-8-,20-17-,21-18-,29-26-,33-27-,36-34-,44-41-,45-42-/t59-/m0/s1 Image of MNXM357817
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:35][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][CH2:58][C@H:59]([CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48]/[CH:45]=[CH:42]\[CH2:39]/[CH:36]=[CH:34]\[CH2:31]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:63])[O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47]/[CH:44]=[CH:41]\[CH2:38]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65]
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:000217256
slm:000217256
IXLUHPXFWAQRIT-VBWIQBKMSA-N
1-heneicosanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
TG(21:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Triacylglycerol (21:0/18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))