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

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2-oxophytanate

MNXM4303 is deprecated and here replaced by MNXM735987
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM735987
reference	metacycM:2-OXYPHYTANATE
formula	C₂₀H₃₇O₃
global charge	-1
mol weight	325.513
InChIKey	CQJGVSCAFSXDSB-KURKYZTESA-M
InChI	InChI=1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)/p-1/t16-,17-,18+/m1/s1
SMILES	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)C(=O)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)/t16-,17-,18+/m1/s1
SMILES (mnx)	[CH3:1][CH:15]([CH3:2])[CH2:9][CH2:6][CH2:10][C@@H:16]([CH3:3])[CH2:11][CH2:7][CH2:12][C@@H:17]([CH3:4])[CH2:13][CH2:8][CH2:14][C@H:18]([CH3:5])[C:19]([C:20]([OH:22])=[O:23])=[O:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:2-OXYPHYTANATE metacycM:2-OXYPHYTANATE CQJGVSCAFSXDSB-KURKYZTESA-M	2-oxophytanate
kegg.compound:C02117 keggC:C02117 CQJGVSCAFSXDSB-UHFFFAOYSA-N	2-Oxophytanate 2-Oxophytanic acid
seed.compound:cpd01434 seedM:cpd01434 CQJGVSCAFSXDSB-KURKYZTESA-M	2-Oxophytanate 2-Oxophytanic acid 2-oxophytanate
CHEBI:58400 chebi:58400 CQJGVSCAFSXDSB-UHFFFAOYSA-M	2-oxophytanate 3,7,11,15-tetramethyl-2-oxohexadecanoate
CHEBI:18168 chebi:18168 CQJGVSCAFSXDSB-UHFFFAOYSA-N	2-oxophytanic acid 2-Oxophytanate 2-Oxophytanic acid 3,7,11,15-tetramethyl-2-oxohexadecanoic acid
lipidmaps:LMPR0104010016 lipidmapsM:LMPR0104010016 CQJGVSCAFSXDSB-UHFFFAOYSA-N	2-oxophytanic acid 2-Oxophytanate 2-oxophytanic acid 3,7,11,15-tetramethyl-2-oxohexadecanoic acid
chebi:11642 chebi:1258 chebi:19758 keggC:M_C02117 seedM:M_cpd01434	secondary/obsolete/fantasy identifier