Search MNXref
 Feedback

1,2-di-(13-methyltetradecanoyl)-3-(6Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM174835 Image of MNXM174835
referenceslm:000137645
formulaC51H96O6
global charge0
mol weight805.323
InChIKeyBQGKVCBGQRKGGJ-QMULEAIDSA-N
InChIInChI=1S/C51H96O6/c1-6-7-8-9-10-11-12-13-14-15-16-21-26-31-36-41-49(52)55-44-48(57-51(54)43-38-33-28-23-18-20-25-30-35-40-47(4)5)45-56-50(53)42-37-32-27-22-17-19-24-29-34-39-46(2)3/h16,21,46-48H,6-15,17-20,22-45H2,1-5H3/b21-16-/t48-/m0/s1
SMILESCCCCCCCCCCC/C=C\CCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C51H96O6/c1-6-7-8-9-10-11-12-13-14-15-16-21-26-31-36-41-49(52)55-44-48(57-51(54)43-38-33-28-23-18-20-25-30-35-40-47(4)5)45-56-50(53)42-37-32-27-22-17-19-24-29-34-39-46(2)3/h16,21,46-48H,6-15,17-20,22-45H2,1-5H3/b21-16-/t48-/m0/s1 Image of MNXM174835
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:21]\[CH2:26][CH2:31][CH2:36][CH2:41][C:49](=[O:52])[O:55][CH2:44][C@@H:48]([CH2:45][O:56][C:50]([CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH2:17][CH2:19][CH2:24][CH2:29][CH2:34][CH2:39][CH:46]([CH3:2])[CH3:3])=[O:53])[O:57][C:51]([CH2:43][CH2:38][CH2:33][CH2:28][CH2:23][CH2:18][CH2:20][CH2:25][CH2:30][CH2:35][CH2:40][CH:47]([CH3:4])[CH3:5])=[O:54]
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:000137645
slm:000137645
BQGKVCBGQRKGGJ-QMULEAIDSA-N
1,2-di-(13-methyltetradecanoyl)-3-(6Z-octadecenoyl)-sn-glycerol
TG(15:0/15:0/18:1(6Z))
Triacylglycerol (15:0/15:0/18:1(6Z))