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Diacylglycerol (homo sapiens)

Properties

Image

Occurences in reactions

MNX_ID

MNXM738565

	#reac
in my sandbox	0
in MNXref (generic)	45
in models (compartimentalized)	58

formula

C₄₇H₆₈O₅

charge

mass

713.056

reference

biggM:dag_hs

InChIKey

XIAZEYRSKHAPND-OQQQIMFUSA-N

InChI

InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5?,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35?,38-36-/t45-/m0/s1

SMILES

[CH3:1][CH2:3][CH:5]=[CH:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:31]\[CH2:33][CH:35]=[CH:37][CH2:39][CH2:41][C:46](=[O:49])[O:51][CH2:44][C@H:45]([CH2:43][OH:48])[O:52][C:47]([CH2:42][CH2:40]/[CH:38]=[CH:36]\[CH2:34]/[CH:32]=[CH:30]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:50]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:dag_hs biggM:dag_hs	Diacylglycerol (homo sapiens)
biggM:M_dag_hs	secondary/obsolete/fantasy identifier