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

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12,17

	Properties	Image
MNX_ID	MNXM1130470
reference	lipidmapsM:LMFA03000023
formula	C₁₈H₃₀O₄
global charge	0
mol weight	310.434
InChIKey	QTQVTFPENXCJKW-VURMDHGXSA-N
InChI	InChI=1S/C18H30O4/c1-18-14-10-12-16(22-18)15(21-18)11-8-6-4-2-3-5-7-9-13-17(19)20/h6,8,15-16H,2-5,7,9-14H2,1H3,(H,19,20)/b8-6-
SMILES	CC12CCCC(O1)C(C/C=C\CCCCCCCC(=O)O)O2

MNX internals

InChI (mnx)	InChI=1/C18H30O4/c1-18-14-10-12-16(22-18)15(21-18)11-8-6-4-2-3-5-7-9-13-17(19)20/h6,8,15-16H,2-5,7,9-14H2,1H3,(H,19,20)/b8-6-/t15?,16?,18?
SMILES (mnx)	[CH3:1][C:18]12[CH2:14][CH2:10][CH2:12][CH:16]([CH:15]([CH2:11]/[CH:8]=[CH:6]\[CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][CH2:13][C:17](=[O:19])[OH:20])[O:21]1)[O:22]2

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
lipidmaps:LMFA03000023 lipidmapsM:LMFA03000023 QTQVTFPENXCJKW-VURMDHGXSA-N	12,17 13,17-Diepoxy-9Z-octadecenoic acid FA 18:3 O2