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1,3-di-(9Z-octadecenoyl)-2-heneicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM178673 Image of MNXM178673
referenceslm:000206228
formulaC60H112O6
global charge0
mol weight929.55
InChIKeyIKSAPCWDBJFKFG-AUHBXHQGSA-N
InChIInChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2)56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h26-27,31-32,57H,4-25,28-30,33-56H2,1-3H3/b31-26-,32-27-
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H112O6/c1-4-7-10-13-16-19-22-25-28-29-30-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2)56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3/h26-27,31-32,57H,4-25,28-30,33-56H2,1-3H3/b31-26-,32-27- Image of MNXM178673
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][CH:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:31]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:61])[CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35]/[CH:32]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62]
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:000206228
slm:000206228
IKSAPCWDBJFKFG-AUHBXHQGSA-N
1,3-di-(9Z-octadecenoyl)-2-heneicosanoyl-sn-glycerol
TG(18:1(9Z)/21:0/18:1(9Z))
Triacylglycerol (18:1(9Z)/21:0/18:1(9Z))