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1-(13Z,16Z-docosadienoyl)-2-heneicosanoyl-3-(15-methylhexadecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM220669 Image of MNXM220669
referenceslm:000237271
formulaC63H118O6
global charge0
mol weight971.631
InChIKeyMLFWSECBSVBMBP-FELDBDLISA-N
InChIInChI=1S/C63H118O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-28-30-34-38-42-46-50-54-61(64)67-57-60(58-68-62(65)55-51-47-43-39-36-32-33-37-41-45-49-53-59(3)4)69-63(66)56-52-48-44-40-35-31-29-26-24-22-20-18-16-14-12-10-8-6-2/h13,15,19,21,59-60H,5-12,14,16-18,20,22-58H2,1-4H3/b15-13-,21-19-/t60-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H118O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-28-30-34-38-42-46-50-54-61(64)67-57-60(58-68-62(65)55-51-47-43-39-36-32-33-37-41-45-49-53-59(3)4)69-63(66)56-52-48-44-40-35-31-29-26-24-22-20-18-16-14-12-10-8-6-2/h13,15,19,21,59-60H,5-12,14,16-18,20,22-58H2,1-4H3/b15-13-,21-19-/t60-/m1/s1 Image of MNXM220669
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:27][CH2:28][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][C:61](=[O:64])[O:67][CH2:57][C@H:60]([CH2:58][O:68][C:62]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:36][CH2:32][CH2:33][CH2:37][CH2:41][CH2:45][CH2:49][CH2:53][CH:59]([CH3:3])[CH3:4])=[O:65])[O:69][C:63]([CH2:56][CH2:52][CH2:48][CH2:44][CH2:40][CH2:35][CH2:31][CH2:29][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:66]
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:000237271
slm:000237271
MLFWSECBSVBMBP-FELDBDLISA-N
1-(13Z,16Z-docosadienoyl)-2-heneicosanoyl-3-(15-methylhexadecanoyl)-sn-glycerol
TG(22:2(13Z,16Z)/21:0/17:0)
Triacylglycerol (22:2(13Z,16Z)/21:0/17:0)