MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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DG(13:0/18:3(9Z,12Z,15Z)/0:0)[iso2]

	Properties	Image
MNX_ID	MNXM104371
reference	chebi:187954
formula	C₃₄H₆₀O₅
global charge	0
mol weight	548.849
InChIKey	KDMCZYPOBRIEHO-WUPJKINLSA-N
InChI	InChI=1S/C34H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-14-12-10-8-6-4-2/h5,7,11,13,16-17,32,35H,3-4,6,8-10,12,14-15,18-31H2,1-2H3/b7-5-,13-11-,17-16-/t32-/m0/s1
SMILES	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C34H60O5/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-34(37)39-32(30-35)31-38-33(36)28-26-24-22-20-14-12-10-8-6-4-2/h5,7,11,13,16-17,32,35H,3-4,6,8-10,12,14-15,18-31H2,1-2H3/b7-5-,13-11-,17-16-/t32-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C:34](=[O:37])[O:39][C@@H:32]([CH2:30][OH:35])[CH2:31][O:38][C:33]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:36]

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
Identifier	Description
CHEBI:187954 chebi:187954 KDMCZYPOBRIEHO-WUPJKINLSA-N	DG(13:0/18:3(9Z,12Z,15Z)/0:0)[iso2] [(2S)-1-hydroxy-3-tridecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
SLM:000117940 slm:000117940 KDMCZYPOBRIEHO-WUPJKINLSA-N	1-tridecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol DG(13:0/18:3(9Z,12Z,15Z)/0:0) Diacylglycerol (13:0/18:3(9Z,12Z,15Z)/0:0)
lipidmaps:LMGL02010362 lipidmapsM:LMGL02010362 KDMCZYPOBRIEHO-WUPJKINLSA-N	DG(13:0/18:3(9Z,12Z,15Z)/0:0)[iso2] 1-tridecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol DG 31:3 DG(13:0_18:3) DG(31:3)